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In the past years, development and production processes in many companies have changed in a revolutionary way, leading to new demands in information and CAx technology. The R&D-departments of the German automotive industry installed a working group to develop a common long term CAD/CAM strategy1. A preliminary result is the concept for an open CAx system architecture as a basis for realizing industrial requirements on CAD/ CAM and for the cooperation with system vendors. The project ANICA was started in cooperation with five international CAD/CAM -suppliers in order to show the feasibility of this architecture. The access interfaces of different system kernels are analysed with the aim of developing a concept for a cooperating CAx system network. The concept will be put into practice with a software prototype basing on CORBA and OLE. The communication elements within such an architecture have to go far beyond conventional CAD data. This will lead to an extension of "feature" concepts including CAx functionality and dynamic information about the process chain of a product. The impact on modern concepts for user interfaces, on reverse engineering methods and on product data models will be discussed to finally close the loop to industrial CAx application.

Process Chain in Automotive Industry - Present Day Demands versus Long Term Open CAD/CAM Strategies
(1997)

The automotive industry was a pioneer in using CAD/CAM technology. Now the car manufacturers development process is almost completely done with this technology. Substantial initiative for the standardisation of CAD/CAM technics comes from the automotive industry, as e.g. for neutral CAD data interfaces. The R&D departments of German car manufacturers have founded a working group ii with the aim to develop a common long term CAD/CAM strategy. One important result is the concept of a future CAx iii architecture based on the standard data structure STEP iv . The commitment of the car manufactures to STEP and open system architectures is in contradiction to their attitude towards suppliers and subcontractors: Recently, more and more contractors are contractually bound to use exactly the same CAD system as the orderer. The German car industry tries to find a way out of this contradiction and to improve the co-operation between the companies in short term. Therefore they proposed a "Dual CAD Strategy", i.e. to put improvements in CAD communication into practice which are possible today - even proprietary solutions - and in parallel to invest in strategic concepts to prepare tomorrow's open system landscape.

On the one hand, in the world of Product Data Technology (PDT), the ISO standard STEP (STandard for the Exchange of Product model data) gains more and more importance. STEP includes the information model specification language EXPRESS and its graphical notation EXPRESS-G. On the other hand, in the Software Engineering world in general, mainly other modelling languages are in use - particularly the Unified Modeling Language (UML), recently adopted to become a standard by the Object Management Group, will probably achieve broad acceptance. Despite a strong interconnection of PDT with the Software Engineering area, there is a lack of bridging elements concerning the modelling language level. This paper introduces a mapping between EXPRESS-G and UML in order to define a linking bridge and bring the best of both worlds together. Hereby the feasibility of a mapping is shown with representative examples; several problematic cases are discussed as well as possible solutions presented.

Interoperability between different CAx systems involved in the development process of cars is presently one of the most critical issues in the automotive industry. None of the existing CAx systems meets all requirements of the very complex process network of the lifecycle of a car. With this background, industrial engineers have to use various CAx systems to get an optimal support for their daily work. Today, the communication between different CAx systems is done via data files using special direct converters or neutral system independent standards like IGES, VDAFS, and recently STEP, the international standard for product data description. To reduce the dependency on individual CAx s ystem vendors, the German automotive industry developed an open CAx system architecture based on STEP as guiding principle for CAx system development. The central component of this architecture is a common, system-independent access interface to CAx functions and data of all involved CAx systems, which is under development in the project ANICA. Within this project, a CAx object bus has been developed based on a STEP data description using CORBA as an integration platform. This new approach allows a transparent access to data and functions of the integrated CAx systems without file-based data exchange. The product development process with various CAx systems concerns objects from different CAx systems. Thus, mechanisms are needed to handle the persistent storage of the CAx objects distributed over the CAx object bus to give the developing engineers a consistent view of the data model of their product. The following paper discusses several possibilities to guarantee consistent data management and storage of distributed CAx models. One of the most promising approaches is the enhancement of the CAx object bus by a STEP-based object-oriented data server to realise a central data management.

Today, the worlds and terminologies of mechanical engineering and software engineering coexist, but they do not always work together seamlessly. Both worlds have developed their own separate formal vocabulary for expressing their concepts as well as for capturing and communicating their respective domain knowledge. But, these two vocabularies are not unified, interwoven, or at least interconnected in a reasonable manner. Thus, the subject of this paper is a comparison of the vocabularies of the two fields, namely feature technology from the area of mechanical engineering and software design patterns from the software engineering domain. Therefore, a certain amount of definitions, history, examples, etc. is presented for features as well as for design patterns. After this, an analysis is carried out to identify analogies and differences. The main intention of this paper is to inform both worlds - mechanical and software engineering - about the other side's terminology and to start a discussion about potential mutual benefits and possibilities to bridge the gap between these two worlds, e.g. to improve the manageability of CAx product development processes.

The increasing parallelisation of development processes as well as the ongoing trends towards virtual product development and outsourcing of development activities strengthen the need for 3D co-operative design via communication networks. Regarding the field of CAx, none of the existing systems meets all the requirements of very complex process chain. This leads to a tremendous need for the integration of heterogeneous CAx systems. Therefore, MACAO, a platform-independent client for a distributed CAx component system, the so-called ANICA CAx object bus, is presented. The MACAO client is able to access objects and functions provided by different CAx servers distributed over a communication network. Thus, MACAO is a new solution for engineering design and visualisation in shared distributed virtual environments. This paper describes the underlying concepts, the actual prototype implementation, as well as possible application scenarios in the area of co-operative design and visualisation.

In der vorliegenden Arbeit wird das Verhalten von thermoplastischen
Verbundwerkstoffen mittels experimentellen und numerischen Untersuchungen
betrachtet. Das Ziel dieser Untersuchungen ist die Identifikation und Quantifikation
des Versagensverhaltens und der Energieabsorptionsmechanismen von geschichteten,
quasi-isotropen thermoplastischen Faser-Kunststoff-Verbunden und die Umsetzung
der gewonnenen Einsichten in Eigenschaften und Verhalten eines Materialmodells zur
Vorhersage des Crash-Verhaltens dieser Werkstoffe in transienten Analysen.
Vertreter der untersuchten Klassen sind un- und mittel-vertreckte Rundgestricke und
glasfaserverstärkte Thermoplaste (GMT). Die Untersuchungen an rundgestrickten
glasfaser-(GF)-verstärktem Polyethylentherephthalat (PET) waren Teil eines
Forschungsprojektes zur Charakterisierung sowohl der Verarbeitbarkeit als auch des
mechanischen Verhaltens. Experimente an GMT und Schnittfaser-GMT wurden
ebenfalls zum Vergleich mit dem Gestrick durchgeführt und dienen als Bestätigung
des beobachteten Verhaltens des Gestrickes.
Besonderer Aufmerksamkeit wird der Einfluß der Probengeometrie auf die Resultate
gewidmet, weil die Crash-Charakteristiken wesentlich von der Geometrie des
getesteten Probekörpers abhängen. Hierzu wurde ein Rundhutprofil zur Untersuchung
dieses Einflußes definiert. Diese spezielle Geometrie hat insbesondere Vorteile
hinsichtlich Energieabsorptionsvermögen sowie Herstellbarkeit von thermoplastischen
Verbundwerkstoffen (TPCs). Es wurden Impakt- und Perforationsversuche zur
Untersuchung der Schädigungsausbreitung und zur Charakterisierung der Zähigkeit
der untersuchten Materialien durchgeführt.
Geschichtete TPCs versagen hauptsächlich in einem Laminat-Biegemodus mit
kombiniertem intra- und interlaminaren Schub (transversaler Schub zwischen Lagen und teilweise mit transversalen Schubbrüchen in einzelnen Lagen). Durch eine
Kopplung der aktuellen Versagensmodi und Crash-Kennwerten wie der mittleren
Crash-Spannung, konnten Indikationen über die Relation zwischen Materialparameter
und absoluter Energieabsorption gewonnen werden.
Numerische Untersuchungen wurden mit einem expliziten Finiten Elemente-
Programm zur Simulation von dreidimensionalen, großen Verformungen durchgeführt.
Das Modell besteht bezüglich des Querschnittaufbaus aus einer mesoskopischen
Darstellung, die zwischen Matrix-zwischenlagen und mesoskopischen Verbundwerkstofflagen unterscheidet. Die Modellgeometrie stellt einen vereinfachten
Längsquerschnitt durch den Probekörper dar. Dabei wurden Einflüsse der Reibung
zwischen Impaktor und Material sowie zwischen einzelnen Lagen berücksichtigt.
Auch die lokal herrschende Dehnrate, Energie und Spannungs-Dehnungsverteilung
über die mesoskopischen Phasen konnten beobachtet werden. Dieses Modell zeigt
deutlich die verschiedenen Effekte, die durch den heterogenen Charakter des Laminats
entstehen, und gibt auch Hinweise für einige Erklärungen dieser Effekte.
Basierend auf den Resultaten der obengenannten Untersuchungen wurde ein
phänomenologisches Modell mit a-priori Information des inherenten
Materialverhaltens vorgeschlagen. Daher, daß das Crashverhalten vom heterogenen
Charakter des Werkstoffes dominiert wird, werden im Modell die Phasen separat
betrachtet. Eine einfache Methode zur Bestimmung der mesoskopischen Eigenschaften
wird diskutiert.
Zur Beschreibung des Verhaltens vom thermoplastischen Matrixsystem während
„Crushing“ würde ein dehnraten- und temperaturabhängiges Plastizitätsgesetz
ausreichen. Für die Beschreibung des Verhaltens der Verbundwerkstoffschichten wird
eine gekoppelte Plastizitäts- und Schädigungsformulierung vorgeschlagen. Ein solches
Modell kann sowohl den plastischen Anteil des Matrixsystems als auch das
„Softening“ - verursacht durch Faser-Matrix-Grenzflächenversagen und Faserbrüche -
beschreiben. Das vorgeschlagene Modell unterscheidet zwischen Belastungsfällen für
axiales „Crushing“ und Versagen ohne „Crushing“. Diese Unterteilung ermöglicht
eine explizite Modellierung des Werkstoffes unter Berücksichtigung des spezifischen
Materialzustandes und der Geometrie für den außerordentlichen Belastungsfall, der
zum progressiven Versagen führt.

In this work the investigation of a (Ti, Al, Si) N system was done. The main point of investigation was to study the possibility of getting the nanocomposite coatings structures by deposition of multilayer films from TiN, AlSiN, . This tries to understand the relation between the mechanical properties (hardness, Young s modulus), and the microstructure (nanocrystalline with individual phases). Particularly special attention was given to the temperature effects on microstructural changes in annealing at 600 °C for the coatings. The surface hardness, elastic modulus, and the multilayers diffusion and compositions were the test tools for the comparison between the different coated samples with and without annealing at 600 °C. To achieve this object a rectangular aluminum vacuum chamber with three unbalanced sputtering magnetrons for the deposition of thin film coatings from different materials was constructed The chamber consists mainly of two chambers, the pre-vacuum chamber to load the workpiece, and the main vacuum chamber where the sputtering deposition of the thin film coatings take place. The workpiece is moving on a car travel on a railway between the two chambers to the position of the magnetrons by step motors. The chambers are divided by a self constructed rectangular gate controlled manually from outside the chamber. The chamber was sealed for vacuum use using glue and screws. Therefore, different types of glue were tested not only for its ability to develop an uniform thin layer in the gap between the aluminum plates to seal the chamber for vacuum use, but also low outgassing rates which made it suitable for vacuum use. A epoxy was able to fulfill this tasks. The evacuation characteristics of the constructed chamber was improved by minimizing the inner surface outgassing rate. Therefore, the throughput outgassing rate test method was used in the comparisons between the selected two aluminum materials (A2017 and A5353) samples short time period (one hour) outgassing rates. Different machining methods and treatments for the inner surface of the vacuum chamber were tested. The machining of the surface of material A (A2017) with ethanol as coolant fluid was able to reduce its outgassing rate a factor of 6 compared with a non-machined sample surface of the same material. The reduction of the surface porous oxide layer on the top of the aluminum surface by the pickling process with HNO3 acid, and the protection of it by producing another passive non-porous oxides layer using anodizing process will protect the surface for longer time and will minimize the outgassing rates even under humid atmosphere The residual gas analyzer (RGA) 6. Summary test shows that more than 85% of the gases inside the test chamber were water vapour (H2O) and the rests are (N2, H2, CO), so liquid nitrogen water vapor trap can enhance the chamber pumping down process. As a result it was possible to construct a chamber that can be pumped down using a turbo molecular pump (450 L/s) to the range of 1x10-6 mbar within one hour of evacuations where the chamber volume is 160 Litters and the inner surface area is 1.6 m2. This is a good base pressure for the process of sputtering deposition of hard thin film coatings. Multilayer thin film coating was deposited to demonstrate that nanostructured thin film within the (Ti, Al, Si) N system could be prepared by reactive magnetron sputtering of multi thin film layers of TiN, AlSiN. The (SNMS) spectrometry of the test samples show that a complete diffusion between the different deposited thin film coating layers in each sample takes place, even at low substrate deposition temperature. The high magnetic flux of the unbalanced magnetrons and the high sputtering power were able to produce a high ion-toatom flux, which give high mobility to the coated atoms. The interactions between the high mobility of the coated atoms and the ion-to-atom flux were sufficient to enhance the diffusion between the different deposited thin layers. It was shown from the XRD patterns for this system that the structure of the formed mixture consists of two phases. One phase is noted as TiN bulk and another detected unknown amorphous phase, which can be SiNx or AlN or a combination of Ti-Al-Si-N. As a result we where able to deposit a nanocomposite coatings by the deposition of multilayers from TiN, AlSiN thin film coatings using the constructed vacuum chamber

Based on the framework of continuum mechanics two different concepts to formulate phenomenological anisotropic inelasticity are developed in a thermodynamically consistent manner. On the one hand, special emphasis is placed on the incorporation of structural tensors while on the other hand, fictitious configurations are introduced. Substantial parts of this work deal with the numerical treatment of the presented theory within the finite element method.

Solid particle erosion is usually undesirable, as it leads to development of cracks and
holes, material removal and other degradation mechanisms that as final
consequence reduce the durability of the structure imposed to erosion. The main aim
of this study was to characterise the erosion behaviour of polymers and polymer
composites, to understand the nature and the mechanisms of the material removal
and to suggest modifications and protective strategies for the effective reduction of
the material removal due to erosion.
In polymers, the effects of morphology, mechanical-, thermomechanical, and fracture
mechanical- properties were discussed. It was established that there is no general
rule for high resistance to erosive wear. Because of the different erosive wear
mechanisms that can take place, wear resistance can be achieved by more than one
type of materials. Difficulties with materials optimisation for wear reduction arise from
the fact that a material can show different behaviour depending on the impact angle
and the experimental conditions. Effects of polymer modification through mixing or
blending with elastomers and inclusion of nanoparticles were also discussed.
Toughness modification of epoxy resin with hygrothermally decomposed polyesterurethane
can be favourable for the erosion resistance. This type of modification
changes also the crosslinking characteristics of the modified EP and it was
established the crosslink density along with fracture energy are decisive parameters
for the erosion response. Melt blending of thermoplastic polymers with functionalised
rubbers on the other hand, can also have a positive influence whereas inclusion of
nanoparticles deteriorate the erosion resistance at low oblique impact angles (30°).
The effects of fibre length, orientation, fibre/matrix adhesion, stacking sequence,
number, position and existence of interleaves were studied in polymer composites.
Linear and inverse rules of mixture were applied in order to predict the erosion rate of
a composite system as a function of the erosion rate of its constituents and their
relative content. Best results were generally delivered with the inverse rule of mixture
approach.
A semi-empirical model, proposed to describe the property degradation and damage
growth characteristics and to predict residual properties after single impact, was
applied for the case of solid particle erosion. Theoretical predictions and experimental
results were in very good agreement.
Strahlerosionsverschleiß (Erosion) entsteht beim Auftreffen von festen Partikel
auf Oberflächen und zeichnet sich üblicherweise durch einen Materialabtrag aus, der
neben der Partikelgeschwindigkeit und dem Auftreffwinkel stark vom jeweiligen
Werkstoff abhängt. In den letzten Jahren ist die Anwendung von Polymeren und
Verbundwerkstoffen anstelle der traditionellen Materialien stark angestiegen.
Polymere und Polymer-Verbundwerkstoffe weisen eine relativ hohe Erosionsrate
(ER) auf, was die potenzielle Anwendung dieser Werkstoffe unter erosiven
Umgebungsbedingungen erheblich einschränkt.
Untersuchungen des Erosionsverhaltens anhand ausgewählter Polymere und
Polymer-Verbundwerkstoffe haben gezeigt, dass diese Systeme unterschiedlichen
Verschleißmechnismen folgen, die sehr komplex sind und nicht nur von einer
Werkstoffeigenschaft beeinflusst werden. Anhand der ER kann das
Erosionsverhalten grob in zwei Kategorien eingeteilt werden: sprödes und duktiles
Erosionsverhalten. Das spröde Erosionsverhalten zeigt eine maximale ER bei 90°,
während das Maximum bei dem duktilen Verhalten bei 30° liegt. Ob ein Material das
eine oder das andere Erosionsverhalten aufweist, ist nicht nur von seinen
Eigenschaften, sondern auch von den jeweiligen Prüfparametern abhängig.
Das Ziel dieser Forschungsarbeit war, das grundsätzliche Verhalten von
Polymeren und Verbundwerkstoffen unter dem Einfluss von Erosion zu
charakterisieren, die verschiedenen Verschleißmechanismen zu erkennen und die
maßgeblichen Materialeigenschaften und Kennwerte zu erfassen, um Anwendungen
dieser Werkstoffe unter Erosionsbedingungen zu ermöglichen bzw. zu verbessern.
An einer exemplarischen Auswahl von Polymeren, Elastomeren, modifizierten Polymeren und Faserverbundwerkstoffen wurden die wesentlichen Einflussfaktoren
für die Erosion experimentell bestimmt.
Thermoplastische Polymere und thermoplastische- und vernetzte- Elastomere
Die Versuche, den Erosionswiderstand ausgewählter Polymere (Polyethylene
und Polyurethane) mit verschiedenen Materialeigenschaften zu korrelieren, haben
gezeigt, dass es weder eine klare Abhängigkeit von einzelnen Kenngrößen noch von
Eigenschaftskombinationen gibt. Möglicherweise führt die Bestimmung der
Materialeigenschaften unter den gleichen experimentellen Bedingungen wie bei den Erosionsversuchen zu einer besseren Korrelation zwischen ER und
Materialkenngröße.
Modifiziertes Epoxidharz
Am Beispiel eines modifizierten Epoxidharzes (EP) mit verschiedener
Vernetzungsdichte wurde eine Korrelation zwischen Erosionswiderstand und
Bruchenergie bzw. Erosionswiderstand und Vernetzungsdichte gefunden. Die
Modifizierung erfolgte mit verschiedenen Anteilen von einem hygrothermisch
abgebauten Polyurethan (HD-PUR). Der Zusammenhang zwischen ER und
Vernetzungsparametern steht im Einklang mit der Theorie der Kautschukelastizität.
Modifizierungseffizienz in Duromeren, Thermoplasten und Elastomeren
Des weiteren wurde der Einfluss von Modifizierungen von Polymeren und
Elastomeren untersucht. Mit dem obenerwähnten System (d.h. EP/HD-PUR) läßt sich
auch der Einfluss der Zähigkeitsmodifizierung des Epoxidharzes (EP) auf das
Erosionsverhalten untersuchen. Es wurde gezeigt, dass für HD-PUR Anteile von
mehr als 20 Gew.% diese Modifizierung einen positiven Einfluss auf die
Erosionsbeständigkeit hat. Durch Variation der HD-PUR-Anteile können für dieses
EP Materialeigenschaften, die zwischen den Eigenschaften eines üblichen
Duroplasten und eines weniger elastischen Gummis liegen, erzeugt werden.
Deswegen stellt der modifizierte EP-Harz ein sehr gutes Modellmaterial dar, um den
Einfluss der experimentellen Bedingungen zu studieren, und zu untersuchen, ob
verschiedene Erodenten zu gleichen Erosionsmechanismen führen. Der Übergang
vom duroplastischen zum zähen Verhalten wurde anhand von vier Erodenten
untersucht. Aus den Versuchen ergab sich, dass ein solcher Übergang auftritt, wenn
sehr feine, kantige Partikel (Korund) als Erodenten dienen. Die Partikelgröße und -form ist von entscheidender Bedeutung für die jeweiligen Verschleißmechanismen.
Die Effizienz neuartiger thermoplastischer Elastomere mit einer cokontinuierlichen
Phasenstruktur, bestehend aus thermoplastischem Polyester und
Gummi (funktionalisierter NBR und EPDM Kautschuk), wurde in Bezug auf die
Erosionsbeständigkeit untersucht. Große Anteile von funktionalisiertem Gummi (mehr
als 20 Gew.%) sind vorteilhaft für den Erosionswiderstand. Weiterhin wurde
untersucht, ob sich die herausragende Erosionsbeständigkeit von Polyurethan (PUR)
durch Zugabe von Nanosilikaten eventuell noch steigern läßt. Das Ergebnis war,
dass die Nanopartikel sich vor allem bei einem kleinen Verschleißwinkel (30°) negativ
auswirken. Die schwache Adhäsion zwischen Matrix und Partikeln erleichtert den
Beginn und das Wachsen von Rissen. Dies führt zu einem schnelleren
Materialabtrag von der Materialoberfläche.
Faserverbundwerkstoffe
Ferner wurden Faserverbundwerkstoffe (FVW) mit thermoplastischer und
duromerer Matrix auf ihr Verhalten bei Erosivverschleiß untersucht. Es war von
großem Interesse, den Einfluss von Faserlänge und -orientierung zu untersuchen.
Kurzfaserverstärkte Systeme haben einen besseren Erosionswiderstand als die
unidirektionalen (UD) Systeme. Die Rolle der Faserorientierung kann man nur in
Verbindung mit anderen Parametern, wie Matrixzähigkeit, Faseranteil oder Faser-
Matrix Haftung, berücksichtigen. Am Beispiel von GF/PP Verbunden weisen die
parallel zur Verstreckungsrichtung gestrahlten Systeme den geringsten Widerstand
auf. Andererseits findet bei einem GF/EP System die maximale ER in senkrechter
Richtung statt. Eine Verbesserung der Grenzflächenscherfestigkeit beeinflusst die
Erosionsverschleißrate nachhaltig. Wenn die Haftung der Grenzfläche ausreichend
ist, spielt die Erosionsrichtung eine unbedeutende Rolle für die ER. Weiterhin wurde
gezeigt, dass die Präsenz von zähen Zwischenschichten zu einer deutlichen
Verbesserung des Erosionswiderstands von CF/EP- Verbunden führt.
Eine weitere Aufgabenstellung war es, die Rolle des Faservolumenanteils zu
bestimmen. „Lineare, inverse und modifizierte Mischungsregeln“ wurden
angewendet, und es wurde festgestellt, dass die inversen Mischungsregeln besser
die ER in Abhängigkeit des Faservolumenanteils beschreiben können.
Im Anwendungsbereich von Faserverbundwerkstoffen ist nicht nur die Kenntnis
der ER, sondern auch die Kenntnis der Resteigenschaften erforderlich. Ein
halbempirisches Modell für die Vorhersage des Schlagenergieschwellwertes (Uo) für den Beginn der Festigkeitsabnahme und der Restzugfestigkeit nach einer
Schlagbelastung wurde bei der Untersuchung des Erosionsverschleißes
angewendet. Experimentelle Ergebnisse und theoretische Vorhersagen stimmten
nicht nur für duromere CF/EP-Verbundwerkstoffe, sondern auch für
Verbundwerkstoffe mit einer thermoplastischen Matrix (GF/PP) sehr gut überein.

In the last decade, injection molding of long-fiber reinforced thermoplastics
(LFT) has been established as a low-cost, high volume technique for manufacturing
parts with complex shape without any post-treatment [1–3]. Applications
are mainly found in the automotive industry with a volume annually
growing by 10% to 15% [4].
While first applications were based on polyamide (PA6 and PA6.6), the market
share of glass fiber reinforced polypropylene (PP) is growing due to cost savings
and ease of processing. With the use of polypropylene, different processing
techniques such as gas-assisted injection molding [5] or injection compression
molding [6] have emerged in addition to injection molding [7, 8].
In order to overcome or justify higher materials costs when compared to short
fiber reinforced thermoplastics, the manufacturing techniques for LFT pellets
with fiber length greater than 10mm have evolved starting from pultrusion by
improving impregnation and throughput [9] or by direct addition of fiber strands
in the mold [10–12].
The benefit of long glass fiber reinforcement either in PP or PA is mainly due
to the enhanced resistance to fiber pull-out resulting in an increase in impact
properties and strength [13–19], even at low temperature levels [20]. Creep
and fatigue resistance are also substantially improved [21, 22].
The performance of fiber reinforced thermoplastics manufactured by injection
molding strongly depends on the flow-induced microstructure which is
driven by materials composition, processing conditions and part geometry.
The anisotropic microstructure is characterized by fiber fraction and dispersion,
fiber length and fiber orientation.
Facing the complexity of this processing technique, simulation becomes a precious
tool already in the concept phase for parts manufactured by injection
molding. Process simulation supports decisions with respect to choice of concepts
and materials. The part design is determined in terms of mold filling
including location of gates, vents and weld lines. Tool design requires the
determination of melt feeding, logistics and mold heating. Subsequently, performance
including prediction of shrinkage and warpage as well as structural
analysis is evaluated [23].
While simulation based on two-dimensional representation of three-dimensional
part geometry has been extensively used during the last two decades, the
complexity of the parts as well as the trend towards solid modelling in CAD
and CAE demands the step towards three-dimensional process simulation. The scope of this work is the prediction of flow-induced microstructure during
injection molding of long glass fiber reinforced polypropylene using threedimensional
process simulation. Modelling of the injection molding process in
three dimensions is supported experimentally by rheological characterization
in both shear and extensional flow and by two- and three-dimensional evaluation
of microstructure.
In chapter 2 the fundamentals of rheometry and rheology are presented with
respect to long fiber reinforced thermoplastics. The influence of parameters
on microstructure is described and approaches for modelling the state of microstructure
and its dynamics are discussed.
Chapter 3 introduces a rheometric technique allowing for rheological characterization
of polymer melts at processing conditions as encountered during
manufacturing. Using this rheometer, both shear and extensional viscosity of
long glass fiber reinforced polypropylene are measured with respect to composition
of materials, processing conditions and geometry of the cavity.
Chapter 4 contains the evaluation of microstructure of long glass fiber reinforced
polypropylene in terms of two-dimensional fiber orientation and its dependence
on materials parameters and processing condition. For the evaluation
of three-dimensional microstructure, a technique based on x-ray tomography
is introduced.
In chapter 5, modelling of microstructural dynamics is addressed. One-way
coupling of interactions between fluid and fibers is described macroscopically.
The flow behavior of fibers in the vicinity of cavity walls is evaluated experimentally.
From these observations, a model for treatment of fiber-wall interaction
with respect to numerical simulation is proposed.
Chapter 6 presents the application of three-dimensional simulation of the injection
molding process. Mold filling simulation is performed using a commercial
code while prediction of 3D fiber orientation is based on a proprietary module.
The rheological and thermal properties derived in chapter 3 are tested by
simulation of the experiments and comparison of predicted pressure and temperature
profile versus recorded results. The performance of fiber orientation
prediction is verified using analytical solutions of test examples from literature.
The capability of three-dimensional simulation is demonstrated based on the
simulation of mold filling and prediction of fiber orientation for an automotive
part.

The goal of this thesis is a physically motivated and thermodynamically consistent formulation of higher gradient inelastic material behavior. Thereby, the influence of the material microstructure is incorporated. Next to theoretical aspects, the thesis is complemented with the algorithmic treatment and numerical implementation of the derived model. Hereby, two major inelastic effects will be addressed: on the one hand elasto-plastic processes and on the other hand damage mechanisms, which will both be modeled within a continuum mechanics framework.

In this thesis, the enhanced Galerkin (eG) finite element method in time is presented. The eG method leads to higher order accurate energy and momentum conserving time integrators for the underlying finite-dimensional Hamiltonian systems. This thesis is concerned with particle dynamics and semi-discrete nonlinear elastodynamics. The conservation is generally related to the collocation property of the eG method. The momentum conservation renders the Gaussian quadrature and the energy conservation is obtained by using a new projection technique. An objective time discretisation of the used strain measures avoids artificial strains for large superimposed rigid body motions. The numerical examples show the well long term performance in the presence of stiffness as well as for calculating large-strain motions.

In the present work, various aspects of the mixed continuum-atomistic modelling of materials are studied, most of which are related to the problems arising due to a development of microstructures during the transition from an elastic to plastic description within the framework of continuum-atomistics. By virtue of the so-called Cauchy-Born hypothesis, which is an essential part of the continuum-atomistics, a localization criterion has been derived in terms of the loss of infinitesimal rank-one convexity of the strain energy density. According to this criterion, a numerical yield condition has been computed for two different interatomic energy functions. Therewith, the range of the Cauchy-Born rule validity has been defined, since the strain energy density remains quasiconvex only within the computed yield surface. To provide a possibility to continue the simulation of material response after the loss of quasiconvexity, a relaxation procedure proposed by Tadmor et al. leading necessarily to the development of microstructures has been used. Thereby, various notions of convexity have been overviewed in details. Alternatively to the above mentioned criterion, a stability criterion has been applied to detect the critical deformation. For the study in the postcritical region, the path-change procedure proposed by Wagner and Wriggers has been adapted for the continuum-atomistic and modified. To capture the deformation inhomogeneity arising due to the relaxation, the Cauchy-Born hypothesis has been extended by assumption that it represents only the 1st term in the Taylor's series expansion of the deformation map. The introduction of the 2nd, quadratic term results in the higher-order materials theory. Based on a simple computational example, the relevance of this theory in the postcritical region has been shown. For all simulations including the finite element examples, the development tool MATLAB 6.5 has been used.

The polydispersive nature of the turbulent droplet swarm in agitated liquid-liquid contacting equipment makes its mathematical modelling and the solution methodologies a rather sophisticated process. This polydispersion could be modelled as a population of droplets randomly distributed with respect to some internal properties at a specific location in space using the population balance equation as a mathematical tool. However, the analytical solution of such a mathematical model is hardly to obtain except for particular idealized cases, and hence numerical solutions are resorted to in general. This is due to the inherent nonlinearities in the convective and diffusive terms as well as the appearance of many integrals in the source term. In this work two conservative discretization methodologies for both internal (droplet state) and external (spatial) coordinates are extended and efficiently implemented to solve the population balance equation (PBE) describing the hydrodynamics of liquid-liquid contacting equipment. The internal coordinate conservative discretization techniques of Kumar and Ramkrishna (1996a, b) originally developed for the solution of PBE in simple batch systems are extended to continuous flow systems and validated against analytical solutions as well as published experimental droplet interaction functions and hydrodynamic data. In addition to these methodologies, we presented a conservative discretization approach for droplet breakage in batch and continuous flow systems, where it is found to have identical convergence characteristics when compared to the method of Kumar and Ramkrishna (1996a). Apart from the specific discretization schemes, the numerical solution of droplet population balance equations by discretization is known to suffer from inherent finite domain errors (FDE). Two approaches that minimize the total FDE during the solution of the discrete PBEs using an approximate optimal moving (for batch) and fixed (for continuous systems) grids are introduced (Attarakih, Bart & Faqir, 2003a). As a result, significant improvements are achieved in predicting the number densities, zero and first moments of the population. For spatially distributed populations (such as extraction columns) the resulting system of partial differential equations is spatially discretized in conservative form using a simplified first order upwind scheme as well as first and second order nonoscillatory central differencing schemes (Kurganov & Tadmor, 2000). This spatial discretization avoids the characteristic decomposition of the convective flux based on the approximate Riemann Solvers and the operator splitting technique required by classical upwind schemes (Karlsen et al., 2001). The time variable is discretized using an implicit strongly stable approach that is formulated by careful lagging of the nonlinear parts of the convective and source terms. The present algorithms are tested against analytical solutions of the simplified PBE through many case studies. In all these case studies the discrete models converges successfully to the available analytical solutions and to solutions on relatively fine grids when the analytical solution is not available. This is accomplished by deriving five analytical solutions of the PBE in continuous stirred tank and liquid-liquid extraction column for especial cases of breakage and coalescence functions. As an especial case, these algorithms are implemented via a windows computer code called LLECMOD (Liquid-Liquid Extraction Column Module) to simulate the hydrodynamics of general liquid-liquid extraction columns (LLEC). The user input dialog makes the LLECMOD a user-friendly program that enables the user to select grids, column dimensions, flow rates, velocity models, simulation parameters, dispersed and continuous phases chemical components, and droplet phase space-time solvers. The graphical output within the windows environment adds to the program a distinctive feature and makes it very easy to examine and interpret the results very quickly. Moreover, the dynamic model of the dispersed phase is carefully treated to correctly predict the oscillatory behavior of the LLEC hold up. In this context, a continuous velocity model corresponding to the manipulation of the inlet continuous flow rate through the control of the dispersed phase level is derived to get rid of this behavior.

A general framework for the thermodynamics of open systems is developed in the spatial and the material setting. Special emphasis is placed on the balance of mass which is enhanced by additional source and flux terms. Different solution strategies within the finite element technique are derived and compared. A number of numerical examples illustrates the features of the proposed approach.

Materials in general can be divided into insulators, semiconductors and conductors,
depending on their degree of electrical conductivity. Polymers are classified as
electrically insulating materials, having electrical conductivity values lower than 10-12
S/cm. Due to their favourable characteristics, e.g. their good physical characteristics,
their low density, which results in weight reduction, etc., polymers are also
considered for applications where a certain degree of conductivity is required. The
main aim of this study was to develop electrically conductive composite materials
based on epoxy (EP) matrix, and to study their thermal, electrical, and mechanical
properties. The target values of electrical conductivity were mainly in the range of
electrostatic discharge protection (ESD, 10-9-10-6 S/cm).
Carbon fibres (CF) were the first type of conductive filler used. It was established that
there is a significant influence of the fibre aspect ratio on the electrical properties of
the fabricated composite materials. With longer CF the percolation threshold value
could be achieved at lower concentrations. Additional to the homogeneous CF/EP
composites, graded samples were also developed. By the use of a centrifugation
method, the CF created a graded distribution along one dimension of the samples.
The effect of the different processing parameters on the resulting graded structures
and consequently on their gradients in the electrical and mechanical properties were
systematically studied.
An intrinsically conductive polyaniline (PANI) salt was also used for enhancing the
electrical properties of the EP. In this case, a much lower percolation threshold was
observed compared to that of CF. PANI was found out to have, up to a particular
concentration, a minimal influence on the thermal and mechanical properties of the
EP system.
Furthermore, the two above-mentioned conductive fillers were jointly added to the EP
matrix. Improved electrical and mechanical properties were observed by this
incorporation. A synergy effect between the two fillers took place regarding the
electrical conductivity of the composites.
The last part of this work was engaged in the application of existing theoretical
models for the prediction of the electrical conductivity of the developed polymer composites. A good correlation between the simulation and the experiments was
observed.
Allgemein werden Materialien in Bezug auf ihre elektrische Leitfähigkeit in Isolatoren,
Halbleiter oder Leiter unterteilt. Polymere gehören mit einer elektrischen Leitfähigkeit
niedriger als 10-12 S/cm in die Gruppe der Isolatoren. Aufgrund vorteilhafter
Eigenschaften der Polymere, wie z.B. ihren guten physikalischen Eigenschaften,
ihrer geringen Dichte, welche zur Gewichtsreduktion beiträgt, usw., werden Polymere
auch für Anwendungen in Betracht gezogen, bei denen ein gewisser Grad an
Leitfähigkeit gefordert wird. Das Hauptziel dieser Studie war, elektrisch leitende
Verbundwerkstoffe auf der Basis von Epoxidharz (EP) zu entwickeln und deren
elektrische, mechanische und thermische Eigenschaften zu studieren. Die Zielwerte
der elektrischen Leitfähigkeit lagen hauptsächlich im Bereich der Vermeidung
elektrostatischer Aufladungen (ESD, 10-9-10-6 S/cm).
Bei der Herstellung elektrisch leitender Kunststoffen wurden als erstes
Kohlenstofffasern (CF) als leitfähige Füllstoffe benutzt. Bei den durchgeführten
Experimenten konnte man beobachten, dass das Faserlängenverhältnis einen
bedeutenden Einfluss auf die elektrischen Eigenschaften der fabrizierten
Verbundwerkstoffe hat. Mit längeren CF wurde die Perkolationsschwelle bereits bei
einer niedrigeren Konzentration erreicht. Zusätzlich zu den homogenen CF/EP
Verbundwerkstoffen, wurden auch Gradientenwerkstoffe entwickelt. Mit Hilfe einer
Zentrifugation konnte eine gradierte Verteilung der CF entlang der Probenlängeachse
erreicht werden. Die Effekte der unterschiedlichen Zentrifugationsparameter
auf die resultierenden Gradientenwerkstoffe und die daraus
resultierenden, gradierten elektrischen und mechanischen Eigenschaften wurden
systematisch studiert.
Ein intrinsisch leitendes Polyanilin-Salz (PANI) wurde auch für das Erhöhen der
elektrischen Eigenschaften des EP benutzt. In diesem Fall wurde eine viel niedrigere
Perkolationsschwelle verglichen mit der von CF beobachtet. Der Einsatz von PANI hat bis zu einer bestimmten Konzentration nur einen minimalen Einfluß auf die
thermischen und mechanischen Eigenschaften des EP Systems.
In einem dritte Schritt wurden die zwei oben erwähnten, leitenden Füllstoffe
gemeinsam der EP Matrix hinzugefügt. Erhöhte elektrische und mechanische
Eigenschaften wurden in diesem Fall beobachtet, wobei sich ein Synergie-Effekt
zwischen den zwei Füllstoffen bezogen auf die elektrische Leitfähigkeit der
Verbundwerkstoffe ergab.
Im letzten Teil dieser Arbeit fand die Anwendung von theoretischen Modelle zur
Vorhersage der elektrischen Leitfähigkeit der entwickelten Verbundwerkstoffe statt.
Dabei konnte eine gute Übereinstimmung mit den experimentellen Ergebnissen
festgestellt werden .

The fact that long fibre reinforced thermoplastic composites (LFT) have higher tensile
strength, modulus and even toughness, compared to short fibre reinforced
thermoplastics with the same fibre loading has been well documented in literature.
These are the underlying factors that have made LFT materials one of the most
rapidly growing sectors of plastics industry. New developments in manufacturing of
LFT composites have led to improvements in mechanical properties and price
reduction, which has made these materials an attractive choice as a replacement for
metals in automobile parts and other similar applications. However, there are still
several open scientific questions concerning the material selection leading to the
optimal property combinations. The present work is an attempt to clarify some of
these questions. The target was to develop tools that can be used to modify, or to
“tailor”, the properties of LFT composite materials, according to the requirements of
automobile and other applications.
The present study consisted of three separate case studies, focusing on the current
scientific issues on LFT material systems. The first part of this work was focused on
LGF reinforced thermoplastic styrenic resins. The target was to find suitable maleic
acid anhydride (MAH) based coupling agents in order to improve the fibre-matrix
interfacial strength, and, in this way, to develop an LGF concentrate suitable for
thermoplastic styrenic resins. It was shown that the mechanical properties of LGF
reinforced “styrenics” were considerably improved when a small amount of MAH
functionalised polymer was added to the matrix. This could be explained by the better fibre-matrix adhesion, revealed by scanning electron microscopy of fracture surfaces.
A novel LGF concentrate concept showed that one particular base material can be
used to produce parts with different mechanical and thermal properties by diluting the
fibre content with different types of thermoplastic styrenic resins. Therefore, this
concept allows a flexible production of parts, and it can be used in the manufacturing
of interior parts for automobile components.The second material system dealt with so called hybrid composites, consisting of
long glass fibre reinforced polypropylene (LGF-PP) and mineral fillers like calcium
carbonate and talcum. The aim was to get more information about the fracture
behaviour of such hybrid composites under tensile and impact loading, and to
observe the influence of the fillers on properties. It was found that, in general, the
addition of fillers in LGF-PP, increased stiffness but the strength and fracture
toughness were decreased. However, calcium carbonate and talcum fillers resulted
in different mechanical properties, when added to LGF-PP: better mechanical
properties were achieved by using talcum, compared to calcium carbonate. This
phenomenon could be explained by the different nucleation effect of these fillers,
which resulted in a different crystalline morphology of polypropylene, and by the
particle orientation during the processing when talc was used. Furthermore, the
acoustic emission study revealed that the fracture mode of LGF-PP changed when
calcium carbonate was added. The characteristic acoustic signals revealed that the
addition of filler led to the fibre debonding at an earlier stage of fracture sequence
when compared to unfilled LGF-PP.
In the third material system, the target was to develop a novel long glass fibre
reinforced composite material based on the blend of polyamide with thermoset
resins. In this study a blend of polyamide-66 (PA66) and phenol formaldehyde resin
(PFR) was used. The chemical structure of the PA66-PFR resin was analysed by
using small molecular weight analogues corresponding to PA66 and PFR
components, as well as by carrying out experiments using the macromolecular
system. Theoretical calculations and experiments showed that there exists a strong
hydrogen bonding between the carboxylic groups of PA66 and the hydroxylic groups
of PFR, exceeding even the strength of amide-water hydrogen bonds. This was
shown to lead to the miscible blends, when PFR was not crosslinked. It was also
found that the morphology of such thermoplastic-thermoset blends can be controlled
by altering ratio of blend components (PA66, PFR and crosslinking agent). In the
next phase, PA66-PFR blends were reinforced by long glass fibres. The studies
showed that the water absorption of the blend samples was considerably decreased,
which was also reflected in higher mechanical properties at equilibrium state.
Wie man aus zahlreichen Untersuchungen und Anwendungsbeispielen entnehmen
kann, besitzen langfaserverstärkte Thermoplaste (LFT) eine bessere Zugfestigkeit,
Biege- und Schlagzähigkeit im Vergleich zu kurzfaserverstärkten Thermoplasten. Die
Vorteile in den mechanischen Eigenschaften haben die LFT zu einem
schnellwachsenden Bereich in der Kunststoffindustrie gemacht. Neue Entwicklungen
in Bereich der Herstellung von LFT haben für zusätzliche Verbesserungen der
mechanischen Eigenschaften sowie eine Preisreduzierung der Materialien in den
vergangenen Jahren gesorgt, was die LFT zu einer attraktiven Wahl u.a. als Ersatz
von Metallen in Automobilteilen macht. Es stellen sich allerdings immer noch einige
offene wissenschaftliche Fragen in Bezug auf z.B. die Materialbeschaffenheit, um
optimale Eigenschaftskombinationen zu erreichen. Die vorliegende Arbeit versucht,
einige dieser Fragen zu beantworten. Ziel war es, Vorgehensweisen zu entwickeln,
mit denen man die Eigenschaften von LFT gezielt beeinflussen und so den
Anforderungen von Automobilen oder anderen Anwendungen anpassen oder
„maßschneidern“ kann.
Die vorliegende Arbeit besteht aus drei Teilen, welche sich auf unterschiedliche
Materialsysteme, angepasst an den aktuellen Bedarf und das Interesse der Industrie,
konzentrieren.
Der erste Teil der Arbeit richtet sich auf die Eigenschaftsoptimierung von
langglasfaserverstärkten (LGF) thermoplastischen Styrolcopolymeren und von
Blends aus diesen Materialien. Es wurden passende, auf Maleinsäureanhydride
(MAH) basierende Kopplungsmittel gefunden, um die Faser-Matrix-Haftung zu
optimieren. Weiterhin wurde ein LGF Konzentrat entwickelt, welches mit
verschiedenen thermoplastischen Styrolcopolymeren kompatibel ist und somit als
„Verstärkungsadditiv“ eingesetzt werden kann.Das Konzept für ein neues LGF-Konzentrat auf Basis des kompatiblen
Materialsystems konzentriert sich insbesondere darauf, dass ein Basismaterial für
die Herstellung von Bauteilen bereit gestellt werden kann, mit dessen Hilfe gezielt
verschiedene mechanische und thermomechanischen Eigenschaften durch das
Zumischen von verschiedenen Styrolcopoylmeren und Blends verbessert werden
können. Dieses Konzept ermöglicht eine sehr flexible Produktion von Bauteilen und
wird seine Anwendung bei der Herstellung von Bauteilen u.a. im Interieur von Autos
finden.
Das zweite Materialsystem basiert auf sogenannten hybriden Verbundwerkstoffen,
welche aus Langglasfasern und mineralischen Füllstoffen wie Kalziumkarbonat und
Talkum in einer Polypropylen (PP) - Matrix zusammengesetzt sind. Ziel war es, durch
detaillierte bruchmechanische Analysen genaue Informationen über das
Bruchverhalten dieser hybriden Verbundwerkstoffe bei Zug- und Schlagbelastung zu
bekommen, um dann die Unterschiede zwischen den verschiedenen Füllstoffen in
Bezug auf ihre Eigenschaften zu dokumentieren. Es konnte beobachtet werden, dass
bei Zugabe der Füllstoffe zum LGF-PP normalerweise die Steifigkeit weiter
verbessert wurde, jedoch die Festigkeit und Schlagzähigkeit abnahmen. Weiterhin
zeigten die verschiedenen Füllstoffe wie Kalziumkarbonat und Talkum
unterschiedliche mechanische Eigenschaften auf, wenn sie zusammen mit LGF
Verstärkung eingesetzt wurden: Bei der Zugabe von Talkum wurde u.a. eine deutlich
bessere Schlagzähigkeit als bei der Zugabe von Kalziumkarbonat festgestellt. Dieses
Phänomen konnte durch das unterschiedliche Nukleierungsverhalten des PPs erklärt
werden, welches in einer unterschiedlichen Kristallmorphologie von Polypropylen
resultierte. Weiterhin konnte man durch Messungen der akustischen Emmissionen
während der Zugbelastung eines bruchmechanischen Versuchskörpers aufzeigen,
dass die höhere Bruchzähigkeit von LGF-PP ohne Füllstoffe daraus resultiert, dass
Faser-Pullout schon bei geringeren Kräften vorhanden war.

This thesis deals with the development of thermoplastic polyolefin elastomers using recycled polyolefins and ground tyre rubber (GTR). The disposal of worn tyres and their economic recycling mean a great challenge nowadays. Material recycling is a preferred way in Europa owing to legislative actions and ecological arguments. This first step with worn tyres is already done in this direc-tion as GTR is available in different fractions in guaranteed quality. As the traditional applications of GTR are saturated, there is a great demand for new, value-added products containing GTR. So, the objective of this work was to convert GTR by reac-tive blending with polyolefins into thermoplastic elastomers (TPE) of suitable me-chanical and rheological properties. It has been established that bituminous reclamation of GTR prior to extrusion melt compounding with polyolefins is a promising way of TPE production. By this way the sol-content (acetone soluble fraction) of the GTR increases and the GTR particles can be better incorporated in the corresponding polyolefin matrix. The adhesion be-tween GTR and matrix is given by molecular intermingling in the resulting interphase. GTR particles of various production and mean particle size were involved in this study. As polyolefins recycled low-density polyethylene (LDPE), recycled high-density polyethylene (HDPE) and polypropylene (PP) were selected. First, the opti-mum conditions for the GTR reclamation in bitumen were established (160 °C < T < 180 °C; time ca. 4 hours). Polyolefin based TPEs were produced after GTR reclamation in extrusion compounding. Their mechanical (tensile behaviour, set properties), thermal (dynamic-mechanical thermal analysis, differential scanning calorimetry) and rheological properties (both in low- and high-shear rates ) were determined. The PE-based blends contained an ethylene/propylene/diene (EPDM) rubber as compatibilizer and their composition was as follows: PE/EPDM/GTR:bitumen = 50/25/25:25. The selected TPEs met the most important criterion, i.e. elongation at break > 100 %; compression set < 50%. The LDPE-based TPE (TPE(LDPE)) showed better me-chanical performance compared to the TPE(HDPE). This was assigned to the higher crystallinity of the HDPE. The PP-based blends of the compositions PP/(GTR-bitumen) 50/50 and 25/75, whereby the ratio of GTR/bitumen was 60/40, outperformed those containing non-reclaimed GTR. The related blends showed also a better compatibility with a PP-based commercial thermoplastic dynamic vulcanizate (TDV). Surprisingly, the mean particle size of the GTR, varied between < 0.2 and 0.4-0.7 mm, had a small effect on the mechanical properties, however somewhat larger for the rheological behaviour of the TPEs produced.

Within the last decades, a remarkable development in materials science took place -- nowadays, materials are not only constructed for the use of inert structures but rather designed for certain predefined functions. This innovation was accompanied with the appearance of smart materials with reliable recognition, discrimination and capability of action as well as reaction. Even though ferroelectric materials serve smartly in real applications, they also possess several restrictions at high performance usage. The behavior of these materials is almost linear under the action of low electric fields or low mechanical stresses, but exhibits strong non-linear response under high electric fields or mechanical stresses. High electromechanical loading conditions result in a change of the spontaneous polarization direction with respect to individual domains, which is commonly referred to as domain switching. The aim of the present work is to develop a three-dimensional coupled finite element model, to study the rate-independent and rate-dependent behavior of piezoelectric materials including domain switching based on a micromechanical approach. The proposed model is first elaborated within a two-dimensional finite element setting for piezoelectric materials. Subsequently, the developed two-dimensional model is extended to the three-dimensional case. This work starts with developing a micromechanical model for ferroelectric materials. Ferroelectric materials exhibit ferroelectric domain switching, which refers to the reorientation of domains and occurs under purely electrical loading. For the simulation, a bulk piezoceramic material is considered and each grain is represented by one finite element. In reality, the grains in the bulk ceramics material are randomly oriented. This property is taken into account by applying random orientation as well as uniform distribution for individual elements. Poly-crystalline ferroelectric materials at un-poled virgin state can consequently be characterized by randomly oriented polarization vectors. Energy reduction of individual domains is adopted as a criterion for the initiation of domain switching processes. The macroscopic response of the bulk material is predicted by classical volume-averaging techniques. In general, domain switching does not only depend on external loads but also on neighboring grains, which is commonly denoted as the grain boundary effect. These effects are incorporated into the developed framework via a phenomenologically motivated probabilistic approach by relating the actual energy level to a critical energy level. Subsequently, the order of the chosen polynomial function is optimized so that simulations nicely match measured data. A rate-dependent polarization framework is proposed, which is applied to cyclic electrical loading at various frequencies. The reduction in free energy of a grain is used as a criterion for the onset of the domain switching processes. Nucleation in new grains and propagation of the domain walls during domain switching is modeled by a linear kinetics theory. The simulated results show that for increasing loading frequency the macroscopic coercive field is also increasing and the remanent polarization increases at lower loading amplitudes. The second part of this work is focused on ferroelastic domain switching, which refers to the reorientation of domains under purely mechanical loading. Under sufficiently high mechanical loading, however, the strain directions within single domains reorient with respect to the applied loading direction. The reduction in free energy of a grain is used as a criterion for the domain switching process. The macroscopic response of the bulk material is computed for the hysteresis curve (stress vs strain) whereby uni-axial and quasi-static loading conditions are applied on the bulk material specimen. Grain boundary effects are addressed by incorporating the developed probabilistic approach into this framework and the order of the polynomial function is optimized so that simulations match measured data. Rate dependent domain switching effects are captured for various frequencies and mechanical loading amplitudes by means of the developed volume fraction concept which relates the particular time interval to the switching portion. The final part of this work deals with ferroelectric and ferroelastic domain switching and refers to the reorientation of domains under coupled electromechanical loading. If this free energy for combined electromechanical loading exceeds the critical energy barrier elements are allowed to switch. Firstly, hysteresis and butterfly curves under purely electrical loading are discussed. Secondly, additional mechanical loads in axial and lateral directions are applied to the specimen. The simulated results show that an increasing compressive stress results in enlarged domain switching ranges and that the hysteresis and butterfly curves flatten at higher mechanical loading levels.

This thesis aims at an overall improvement of the diffusion coefficient predictions. For this reason the theoretical determination of diffusion, viscosity, and thermodynamics in liquid systems is discussed. Furthermore, the experimental determination of diffusion coefficients is also part of this work. All investigations presented are carried out for organic binary liquid mixtures. Diffusion coefficient data of 9 highly nonideal binary mixtures are reported over the whole concentration range at various temperatures, (25, 30, and 35) °C. All mixtures investigated in a Taylor dispersion apparatus consist of an alcohol (ethanol, 1-propanol, or 1-butanol) dissolved in hexane, cyclohexane, carbon tetrachloride, or toluene. The uncertainty of the reported data is estimated to be within 310-11 m2s-1. To compute the thermodynamic correction factor an excess Gibbs energy model is required. Therefore, the applicability of COSMOSPACE to binary VLE predictions is thoroughly investigated. For this purpose a new method is developed to determine the required molecular parameters such as segment types, areas, volumes, and interaction parameters. So-called sigma profiles form the basis of this approach which describe the screening charge densities appearing on a molecule’s surface. To improve the prediction results a constrained two-parameter fitting strategy is also developed. These approaches are crucial to guarantee the physical significance of the segment parameters. Finally, the prediction quality of this approach is compared to the findings of the Wilson model, UNIQUAC, and the a priori predictive method COSMO-RS for a broad range of thermodynamic situations. The results show that COSMOSPACE yields results of similar quality compared to the Wilson model, while both perform much better than UNIQUAC and COSMO-RS. Since viscosity influences also the diffusion process, a new mixture viscosity model has been developed on the basis of Eyring’s absolute reaction rate theory. The nonidealities of the mixture are accounted for with the thermodynamically consistent COSMOSPACE approach. The required model and component parameters are derived from sigma-profiles, which form the basis of the a priori predictive method COSMO-RS. To improve the model performance two segment parameters are determined from a least-squares analysis to experimental viscosity data, whereas a constraint optimisation procedure is applied. In this way the parameters retain their physical meaning. Finally, the viscosity calculations of this approach are compared to the findings of the Eyring-UNIQUAC model for a broad range of chemical mixtures. These results show that the new Eyring-COSMOSPACE approach is superior to the frequently employed Eyring-UNIQUAC method. Finally, on the basis of Eyring’s absolute reaction rate theory a new model for the Maxwell-Stefan diffusivity has been developed. This model, an extension of the Vignes equation, describes the concentration dependence of the diffusion coefficient in terms of the diffusivities at infinite dilution and an additional excess Gibbs energy contribution. This energy part allows the explicit consideration of thermodynamic nonidealities within the modelling of this transport property. If the same set of interaction parameters, which has been derived from VLE data, is applied for this part and for the thermodynamic correction, a theoretically sound modelling of VLE and diffusion can be achieved. The influence of viscosity and thermodynamics on the model accuracy is thoroughly investigated. For this purpose diffusivities of 85 binary mixtures consisting of alkanes, cycloalkanes, halogenated alkanes, aromatics, ketones, and alcohols are computed. The average relative deviation between experimental data and computed values is approximately 8 % depending on the choice of the gE-model. These results indicate that this model is superior to some widely used methods. In summary, it can be said that the new approach facilitates the prediction of diffusion coefficients. The final equation is mathematically simple, universally applicable, and the prediction quality is as good as other models recently developed without having to worry about additional parameters, like pure component physical property data, self diffusion coefficients, or mixture viscosities. In contrast to many other models, the influence of the mixture viscosity can be omitted. Though a viscosity model is not required in the prediction of diffusion coefficients with the new equation, the models presented in this work allow a consistent modelling approach of diffusion, viscosity, and thermodynamics in liquid systems.

The use of polymers subjected to various tribological situations has become state of
the art. Owing to the advantages of self-lubrication and superior cleanliness, more
and more polymer composites are now being used as sliding elements, which were
formerly composed of metallic materials only. The feature that makes polymer composites
so promising in industrial applications is the opportunity to tailor their properties
with special fillers. The main aim of this study was to strength the importance of
integrating various functional fillers in the design of wear-resistant polymer composites
and to understand the role of fillers in modifying the wear behaviour of the materials.
Special emphasis was focused on enhancement of the wear resistance of
thermosetting and thermoplastic matrix composites by nano-TiO2 particles (with a
diameter of 300nm).
In order to optimize the content of various fillers, the tribological performance of a
series of epoxy-based composites, filled with short carbon fibre (SCF), graphite,
PTFE and nano-TiO2 in different proportions and combinations, was investigated.
The patterns of frictional coefficient, wear resistance and contact temperature were
examined by a pin-on-disc apparatus in a dry sliding condition under different contact
pressures and sliding velocities. The experimental results indicated that the addition
of nano-TiO2 effectively reduced the frictional coefficient, and consequently the contact
temperature, of short-fibre reinforced epoxy composites. Based on scanning
electron microscopy (SEM) and atomic force microscopy (AFM) observations of the
worn surfaces, a positive rolling effect of the nanoparticles between the material pairs
was proposed, which led to remarkable reduction of the frictional coefficient. In particular,
this rolling effect protected the SCF from more severe wear mechanisms, especially
in high sliding pressure and speed situations. As a result, the load carrying capacity of materials was significantly improved. In addition, the different contributions
of two solid lubricants, PTFE powders and graphite flakes, on the tribological
performance of epoxy nanocomposites were compared. It seems that graphite contributes
to the improved wear resistance in general, whereas PTFE can easily form a
transfer film and reduce the wear rate, especially in the running-in period. A combination of SCF and solid lubricants (PTFE and graphite) together with TiO2 nanoparticles
can achieve a synergistic effect on the wear behaviour of materials.
The favourable effect of nanoparticles detected in epoxy composites was also found
in the investigations of thermoplastic, e.g. polyamide (PA) 6,6 matrix. It was found
that nanoparticles could reduce the friction coefficient and wear rate of the PA6,6
composite remarkably, when additionally incorporated with short carbon fibres and
graphite flakes. In particular, the addition of nanoparticles contributed to an obvious
enhancement of the tribological performances of the short-fibre reinforced, hightemperature
resistant polymers, e.g. polyetherimide (PEI), especially under extreme
sliding conditions.
A procedure was proposed in order to correlate the contact temperature and the
wear rate with the frictional dissipated energy. Based on this energy consideration, a
better interpretation of the different performance of distinct tribo-systems is possible.
The validity of the model was illustrated for various sliding tests under different conditions.
Although simple quantitative formulations could not be expected at present, the
study may lead to a fundamental understanding of the mechanisms controlling friction
and wear from a general system point of view. Moreover, using the energybased
models, the artificial neural network (ANN) approach was applied to the experimental
data. The well-trained ANN has the potential to be further used for online
monitoring and prediction of wear progress in practical applications.
Die Verwendung von Polymeren im Hinblick auf verschiedene tribologische Anwendungen
entspricht mittlerweile dem Stand der Technik. Aufgrund der Vorteile von
Selbstschmierung und ausgezeichneter Sauberkeit werden polymere Verbundwerkstoffe
immer mehr als Gleitelemente genutzt, welche früher ausschließlich aus metallischen
Werkstoffen bestanden. Die Besonderheit, die polymere Verbundwerkstoffe
so vielversprechend für industrielle Anwendungen macht, ist die Möglichkeit ihre Eigenschaften
durch Zugabe von speziellen Füllstoffen maßzuschneidern. Das Hauptziel
dieser Arbeit bestand darin, die Wichtigkeit der Integration verschiedener funktionalisierter
Füllstoffe in den Aufbau polymerer Verbundwerkstoffe mit hohem Verschleißwiderstand
aufzuzeigen und die Rolle der Füllstoffe hinsichtlich des Verschleißverhaltens
zu verstehen. Hierbei lag besonderes Augenmerk auf der Verbesserung
des Verschleißwiderstandes bei Verbunden mit duromerer und thermoplastischer
Matrix durch die Präsenz von TiO2-Partikeln (Durchmesser 300nm).
Das tribologische Verhalten epoxidharzbasierter Verbunde, gefüllt mit kurzen Kohlenstofffasern
(SCF), Graphite, PTFE und nano-TiO2 in unterschiedlichen Proportionen
und Kombinationen wurde untersucht, um den jeweiligen Füllstoffgehalt zu optimieren.
Das Verhalten von Reibungskoeffizient, Verschleißwiderstand und Kontakttemperatur
wurde unter Verwendung einer Stift-Scheibe Apparatur bei trockenem
Gleitzustand, verschiedenen Kontaktdrücken und Gleitgeschwindigkeiten erforscht.
Die experimentellen Ergebnisse zeigen, dass die Zugabe von nano-TiO2 in kohlenstofffaserverstärkte
Epoxide den Reibungskoeffizienten und die Kontakttemperatur
herabsetzen können. Basierend auf Aufnahmen der verschlissenen Oberflächen
durch Rasterelektronen- (REM) und Rasterkraftmikroskopie (AFM) trat ein positiver
Rolleffekt der Nanopartikel zwischen den Materialpaaren zum Vorschein, welcher zu
einer beachtlichen Reduktion des Reibungskoeffizienten führte. Dieser Rolleffekt schützte insbesondere die SCF vor schwerwiegenderen Verschleißmechanismen,
speziell bei hohem Gleitdruck und hohen Geschwindigkeiten. Als Ergebnis konnte
die Tragfähigkeit dieser Materialien wesentlich verbessert werden. Zusätzlich wurde
die Wirkung zweier fester Schmierstoffe (PTFE-Pulver und Graphit-Flocken) auf die tribologische Leistungsfähigkeit verglichen. Es scheint, daß Graphit generell zur Verbesserung
des Verschleißwiderstandes beiträgt, wobei PTFE einen Transferfilm bilden
kann und die Verschleißrate insbesondere in der Einlaufphase reduziert. Die
Kombination von SCF und festen Schmierstoffen zusammen mit TiO2-Nanopartikeln
kann einen Synergieeffekt bei dem Verschleißverhalten der Materialien hervorrufen.
Der positive Effekt der Nanopartikel in Duromeren wurde ebenfalls bei den Untersuchungen
von Thermoplasten (PA 66) gefunden. Die Nanopartikel konnten den Reibungskoeffizienten
und die Verschleißrate der PA 66-Verbunde herabsetzen, wobei
zusätzlich Kohlenstofffasern und Graphit-Flocken enthalten waren. Die Zugabe von
Nanopartikeln trug offensichtlich auch zur Verbesserung der tribologischen Leistungsfähigkeit
von SCF-verstärkten, hochtemperaturbeständigen Polymeren (PEI)
insbesondere unter extremen Gleitzuständen, bei. Es wurde eine Methode vorgestellt,
um die Kontakttemperatur und die Verschleißrate mit der durch Reibung dissipierten
Energie zu korrelieren. Diese Energiebetrachtung ermöglicht eine bessere
Interpretation der verschiedenen Eigenschaften von ausgewählten Tribo-Systemen.
Die Gültigkeit dieses Models wurde für mehrere Gleittests unter verschiedenen Bedingungen
erklärt.
Vom generellen Blickpunkt eines tribologischen Systems aus mag diese Arbeit zu
einem fundamentalen Verständnis der Mechanismen führen, welche das Reibungs und Verschleißverhalten kontrollieren, obwohl hier einfache quantitative (mathematische)
Zusammenhänge bisher nicht zu erwarten sind. Der auf energiebasierenden
Modellen fußende Lösungsansatz der neuronalen Netzwerke (ANN) wurde darüber
hinaus auf die experimentellen Datensätze angewendet. Die gut trainierten ANN's
besitzen das Potenzial sie in der praktischen Anwendungen zur Online-
Datenauswertung und zur Vorhersage des Verschleißfortschritts einzusetzen.

The scientific and industrial interest devoted to polymer/layered silicate
nanocomposites due to their outstanding properties and novel applications resulted
in numerous studies in the last decade. They cover mostly thermoplastic- and
thermoset-based systems. Recently, studies in rubber/layered silicate
nanocomposites were started, as well. It was presented how complex maybe the
nanocomposite formation for the related systems. Therefore the rules governing their
structure-property relationships have to be clarified. In this Thesis, the related
aspects were addressed.
For the investigations several ethylene propylene diene rubbers (EPDM) of polar and
non-polar origin were selected, as well as, the more polar hydrogenated acrylonitrile
butadiene rubber (HNBR). The polarity was found to be beneficial on the
nanocomposite formation as it assisted to the intercalation of the polymer chains
within the clay galleries. This favored the development of exfoliated structures.
Finding an appropriate processing procedure, i.e. compounding in a kneader instead
of on an open mill, the mechanical performance of the nanocomposites was
significantly improved. The complexity of the nanocomposite formation in
rubber/organoclay system was demonstrated. The deintercalation of the organoclay
observed, was traced to the vulcanization system used. It was evidenced by an
indirect way that during sulfur curing, the primary amine clay intercalant leaves the
silicate surface and migrates in the rubber matrix. This was explained by its
participation in the sulfur-rich Zn-complexes created. Thus, by using quaternary
amine clay intercalants (as it was presented for EPDM or HNBR compounds) the
deintercalation was eliminated. The organoclay intercalation/deintercalation detected
for the primary amine clay intercalants, were controlled by means of peroxide curing
(as it was presented for HNBR compounds), where the vulcanization mechanism
differs from that of the sulfur curing.
The current analysis showed that by selecting the appropriate organoclay type the
properties of the nanocomposites can be tailored. This occurs via generating different
nanostructures (i.e. exfoliated, intercalated or deintercalated). In all cases, the
rubber/organoclay nanocomposites exhibited better performance than vulcanizates
with traditional fillers, like silica or unmodified (pristine) layered silicates.The mechanical and gas permeation behavior of the respective nanocomposites
were modelled. It was shown that models (e.g. Guth’s or Nielsen’s equations)
developed for “traditional” vulcanizates can be used when specific aspects are taken
into consideration. These involve characteristics related to the platy structure of the
silicates, i.e. their aspect ratio after compounding (appearance of platelet stacks), or
their orientation in the rubber matrix (order parameter).

In contrast to the spatial motion setting, the material motion setting of continuum mechanics is concerned with the response to variations of material placements of particles with respect to the ambient material. The material motion point of view is thus extremely prominent when dealing with defect mechanics to which it has originally been introduced by Eshelby more than half a century ago. Its primary unknown, the material deformation map is governed by the material motion balance of momentum, i.e. the balance of material forces on the material manifold in the sense of Eshelby. Material (configurational) forces are concerned with the response to variations of material placements of 'physical particles' with respect to the ambient material. Opposed to that, the common spatial (mechanical) forces in the sense of Newton are considered as the response to variations of spatial placements of 'physical particles' with respect to the ambient space. Material forces as advocated by Maugin are especially suited for the assessment of general defects as inhomogeneities, interfaces, dislocations and cracks, where the material forces are directly related to the classical J-Integral in fracture mechanics, see also Gross & Seelig. Another classical example of a material - or rather configurational - force is emblematized by the celebrated Peach-Koehler force, see e.g. the discussion in Steinmann. The present work is mainly divided in four parts. In the first part we will introduce the basic notions of the mechanics and numerics of material forces for a quasi-static conservative mechanical system. In this case the internal potential energy density per unit volume characterizes a hyperelastic material behaviour. In the first numerical example we discuss the reliability of the material force method to calculate the vectorial J-integral of a crack in a Ramberg-Osgood type material under mode I loading and superimposed T-stresses. Secondly, we study the direction of the single material force acting as the driving force of a kinked crack in a geometrically nonlinear hyperelastic Neo-Hooke material. In the second part we focus on material forces in the case of geometrically nonlinear thermo-hyperelastic material behaviour. Therefore we adapt the theory and numerics to a transient coupled problem, and elaborate the format of the Eshelby stress tensor as well as the internal material volume forces induced by the gradient of the temperature field. We study numerically the material forces in a bimaterial bar under tension load and the time dependent evolution of material forces in a cracked specimen. The third part discusses the material force method in the case of geometrically nonlinear isotropic continuum damage. The basic equations are similar to those of the thermo-hyperelastic problem but we introduce an alternative numerical scheme, namely an active set search algorithm, to calculate the damage field as an additional degree of freedom. With this at hand, it is an easy task to obtain the gradient of the damage field which induces the internal material volume forces. Numeric examples in this part are a specimen with an elliptic hole with different semi-axis, a center cracked specimen and a cracked disc under pure mode I loading. In the fourth part of this work we elaborate the format of the Eshelby stress tensor and the internal material volume forces for geometrically nonlinear multiplicative elasto-plasticity. Concerning the numerical implementation we restrict ourselves to the case of geometrically linear single slip crystal plasticity and compare here two different numerical methods to calculate the gradient of the internal variable which enters the format of the internal material volume forces. The two numerical methods are firstly, a node point based approach, where the internal variable is addressed as an additional degree of freedom, and secondly, a standard approach where the internal variable is only available at the integration points level. Here a least square projection scheme is enforced to calculate the necessary gradients of this internal variable. As numerical examples we discuss a specimen with an elliptic inclusion and an elliptic hole respectively and, in addition, a crack under pure mode I loading in a material with different slip angles. Here we focus on the comparison of the two different methods to calculate the gradient of the internal variable. As a second class of numerical problems we elaborate and implement a geometrically linear von Mises plasticity with isotropic hardening. Here the necessary gradients of the internal variables are calculated by the already mentioned projection scheme. The results of a crack in a material with different hardening behaviour under various additional T-stresses are given.

The primary object of this work is the development of a robust, accurate and efficient time integrator for the dynamics of flexible multibody systems. Particularly a unified framework for the computational dynamics of multibody systems consisting of mass points, rigid bodies and flexible beams forming open kinematic chains or closed loop systems is developed. In addition, it aims at the presentation of (i) a focused survey of the Lagrangian and Hamiltonian formalism for dynamics, (ii) five different methods to enforce constraints with their respective relations, and (iii) three alternative ways for the temporal discretisation of the evolution equations. The relations between the different methods for the constraint enforcement in conjunction with one specific energy-momentum conserving temporal discretisation method are proved and their numerical performances are compared by means of theoretical considerations as well as with the help of numerical examples.

Discontinuities can appear in different fields of mechanics. Some examples where discontinuities arise are more obvious such as the formation of cracks. Other sources of discontinuities are less apparent such as interfaces between different materials. Furthermore continuous fields with steep gradients can also be considered as discontinuous fields. This work aims at the inclusion of arbitrary discontinuities within the finite element method. Although the finite element method is the most sophisticated numerical tool in modern engineering, the inclusion of discontinuities is still a challenging task. Traditionally within finite the framework of FE methods discontinuities are modeled explicitely by the construction of the mesh. Thus, when a fixed mesh is used, the position of the discontinuity is prescribed by the location of interelement boundaries and not by the physical situation. The simulation of crack growth requires a frequent adaption of the mesh and that can be a difficult and computationally expensive task. Thus a more flexible numerical approach is needed which leads to the mesh-independent representation of the discontinuity. A challenging field where the accurate description of discontinuities is of vital importance is the modeling of failure in engineering materials. The load capacity of a structure is limited by the material strength. If the load limit is exceeded failure zones arise and increase. Representative examples of failure mechanisms are are cracks in brittle materials or shear bands in metals or soils. Failure processes are often accompanied by a strain softening material behaviour (decreasing load carrying capacity with increasing strain at a material point). It is known that the inclusion of strain softening material behaviour within a continuum description requires regularization techniques to preserve the well- posedness of the governing equations. One possibility is the consideration of non-local or gradient terms in the constitutive equations but these approaches require a sufficiently fine discretization in the localization zone, which leads to a high numerical effort. If the extent of the failure zone and the failure process to the point of the development of discrete cracks is considered it seems reasonable to include strong discontinuities. In the framework of fracture mechanics the inclusion of displacement jumps is intuitively comprehensible. However, the modeling of localized failure processes demands the consideration of inelastic material behaviour. Cohesive zone models represent an approach which is especially suited for the incorporation within the finite element framework. It is supposed that cohesive tractions are transmitted between the discontinuity surfaces. These tractions are constitutively prescribed by a phenomenological traction separation law and thus allow for the modeling of different inelastic mechanisms, like micro-crack evolution, initiation of voids, plastic flow or crack bridging. The incorporation of a displacement discontinuity in combination with a cohesive traction separation law leads to a sound model to describe failure processes and crack propagation. Another area where the existence of discontinuities is not as obvious is the occurence of material interfaces, inclusions or holes. The accurate modeling of such internal interfaces is important to predict the mechanical behaviour of components. The present discontinuity is of different nature: the displacement field is continuous but there is a jump in the strains, which is denoted by the expression weak discontinuity. Usually in FE methods material interfaces are taken into account by the mesh construction. But if the structure exhibits multiple inclusions of complex geometry it can be advantageous if the interface does not have to be meshed. And when we look at at problems where the interface moves with time, e. g. phase transformation, the mesh-independent modeling of the weak discontinuities naturally holds major advantages. The greatest challenge in the modeling of discontinuities is their incorporation into numerical methods. The focus of the present work is the development, analysis and application of a finite element approach to model mesh-independent discontinuities. The method shall be robust and flexible to be applicable to both, strong and weak discontinuities.

Wetting of a solid surface with liquids is an important parameter in the chemical engineering process such as distillation, absorption and desorption. The degree of wetting in packed columns mainly contributes in the generating of the effective interfacial area and then enhancing of the heat and mass transfer process. In this work the wetting of solid surfaces was studied in real experimental work and virtually through three dimensional CFD simulations using the multiphase flow VOF model implemented in the commercial software FLUENT. That can be used to simulate the stratified flows [1]. The liquid rivulet flow which is a special case of the film flow and mostly found in packed columns has been discussed. Wetting of a solid flat and wavy metal plate with rivulet liquid flow was simulated and experimentally validated. The local rivulet thickness was measured using an optically assisted mechanical sensor using a needle which is moved perpendicular to the plate surface with a step motor and in the other two directions using two micrometers. The measured and simulated rivulet profiles were compared to some selected theoretical models founded in the literature such as Duffy & Muffatt [2], Towell & Rothfeld [3] and Al-Khalil et al. [4]. The velocity field in a cross section of a rivulet flow and the non-dimensional maximum and mean velocity values for the vertical flat plate was also compared with models from Al-Khalil et al. [4] and Allen & Biggin [5]. Few CFD simulations for the wavy plate case were compared to the experimental findings, and the Towel model for a flat plate [3]. In the second stage of this work 3-D CFD simulations and experimental study has been performed for wetting of a structured packing element and packing sheet consisting of three elements from the type Rombopak 4M, which is a product of the company Kuhni, Switzerland. The hydrodynamics parameters of a packed column, e. i. the degree of wetting, the interfacial area and liquid hold-up have been depicted from the CFD simulations for different liquid systems and liquid loads. Flow patterns on the degree of wetting have been compared to that of the experiments, where the experimental values for the degree of wetting were estimated from the snap shooting of the flow on the packing sheet in a test rig. A new model to describe the hydrodynamics of packed columns equipped with Rombopak 4M was derived with help of the CFD–simulation results. The model predicts the degree of wetting, the specific or interfacial area and liquid hold-up at different flow conditions. This model was compared to Billet & Schultes [6], the SRP model Rocha et al. [7-9], to Shi & Mersmann [10] and others. Since the pressure drop is one of the most important parameter in packed columns especially for vacuum operating columns, few CFD simulations were performed to estimate the dry pressure drop in a structured and flat packing element and were compared to the experimental results. It was found a good agreement from one side, between the experimental and the CFD simulation results, and from the other side between the simulations and theoretical models for the rivulet flow on an inclined plate. The flow patterns and liquid spreading behaviour on the packing element agrees well with the experimental results. The VOF (Volume of Fluid) was found very sensitive to different liquid properties and can be used in optimization of the packing geometries and revealing critical details of wetting and film flow. An extension of this work to perform CFD simulations for the flow inside a block of the packing to get a detailed picture about the interaction between the liquid and packing surfaces is recommended as further perspective.

Nowadays piezoelectric and ferroelectric materials are becoming more and more an interesting part of smart materials in scientific and engineering applications. Precision machining in manufacturing, micropositioning in metrology, common rail systems with piezo fuel injection control in automobile industry, and ferroelectric random access memories (FRAM) in microelectromechanical systems (MEMS) besides commercial piezo actuators and sensors can be very good examples for the application of piezoceramic and ferroelectric materials. In spite of having good characteristics, piezoelectric and ferroelectric materials have significant nonlinearities, which limit the applications in high performance usage. Domain switching (ferroelastic or ferroelectric) is the main reason for the nonlinearity of ferroelectric materials. External excessive electromechanical loads (mechanical stress and electric field) are driving forces for domain switching. In literature, various important experiments related to the non-linear properties of piezoelectric and ferroelectric materials are reported. Simulations of nonlinear properties of piezoelectric and ferroelectric materials based on physical insights of the material have been performed during the last two decades by using micromechanical and phenomenological models. The most significant experiments and models are deeply discussed in the literature survey. In this thesis the nonlinear behaviour of tetragonal perovskite type piezoceramic materials is simulated theoretically using two and three dimensional micromechanical models which are based on physical insights of the material. In the simulations a bulk piezoceramic material which has numerous grains is considered. Each grain has random orientation in properties of polarization and strain. Randomness of orientations is given by Euler angles equally distributed between \(0\) and \(2\pi\). Each element in the micromechanical model has been assumed to have the same properties of the real piezoelectric grain. In the first part of the simulations, quasi-static characteristics of piezoelectric materials are investigated by applying cyclic, rate independent, bipolar, uni-axial and external electrical loading with an amplitude of 2 kV/mm gradually starting from zero value in virgin state. Moreover, the simulations are undertaken for these materials which are subjected to quasi-static, uni-polar, uni-axial mechanical stress, namely compressive stress. The calculations are performed at each element based on linear constitutive equations, nonlinear domain switching and a probability theory for domain switching. In order to fit the simulations to the experimental data, some parameters such as spontaneous polarization, spontaneous strain, piezoelectric and dielectric constants are chosen from literature. The domain switching of each grain is determined by an electromechanical energy criterion. Depending on the actual energy related to a critical energy a certain probability is introduced for domain switching of the polarization direction. Same energy levels are assumed in the electromechanical energy relation for different types of domain switching like 90º and 180º for perovskite type tetragonal or 70.5º and 109.5º for rhombohedral microstructures. It is assumed that intergranular effects between grains can be modelled by such probability functions phenomenologically. The macroscopic response of the material to the applied electromechanical loading is calculated by using Euler transformations and averaging the individual grains. Properties of piezoelectric materials under fixed mechanical stresses are also investigated by applying constant compressive stress in addition to cyclic electrical loading in the simulations. Compressive stress is applied and kept constant before cyclic bipolar electrical loading is implemented. In the following chapters, a three-dimensional micromechanical model is extended for the simulation of the rate dependent properties of certain perovskite type tetragonal piezoelectric materials. The frequency dependent micromechanical model is now not only based on linear constitutive and nonlinear domain switching but also linear kinetics theories. The material is loaded both electrically and mechanically in separate manner with an alternating electrical voltage and mechanical stress values of various moderate frequencies, which are in the order of 0.01 Hz to 1 Hz. Electromechanical energy equation in combination with a probability function is again used to determine the onset of the domain switching inside the grains. The propagation of the domain wall during the domain switching process in grains is modelled by means of linear kinetics relations after a new domain nucleates. Electric displacement versus electric field hysteresis loops, mechanical strain versus mechanical stress and electric displacement versus mechanical stress for different frequencies and amplitudes of the alternating electric fields and compressive stresses are simulated and presented. A simple micromechanical model without using probabilistic approach is compared with the one that takes it into account. Both models give important insights into the rate dependency of piezoelectric materials, which was observed in some experiments reported in the literature. Intergranular effects are other significant factors for nonlinearities of polycrystalline ferroelectric materials. Even piezoelectric actuators and sensors show nonlinearities when they are operated with electrical loading, which is much lower than the coercive electric field level. Intergranular effects are the main cause of such small hysteresis loops. In the corresponding chapter, two basic field effects which are electrical and mechanical are taken into account for the consideration of intergranular effects micromechanically in the simulations of the two dimensional model. Therefore, a new electromechanical energy equation for the threshold of domain switching is introduced to explain nonlinearities stemming from both domain switching and intergranular effects. The material parameters like coercive electric field and critical spontaneous polarization or strain quantities are not implemented in the electromechanical energy relation. But, this relation contains new parameters which consider both mechanical and electrical field characteristics of neighbouring elements. By using this new model, mechanical strain versus electric field butterfly curves under small electrical loading conditions are also simulated. Hence, a rate dependent concept is applied in butterfly curves by means of linear kinetics model. As a result, the simulations have better matching with corresponding experiments in literature. In the next step, the model can be extended in three dimensional case and the parameters of electromechanical energy relation can be improved in order to get better simulations of nonlinear properties of polycrystalline piezoelectric materials.

With the burgeoning computing power available, multiscale modelling and simulation has these days become increasingly capable of capturing the details of physical processes on different scales. The mechanical behavior of solids is oftentimes the result of interaction between multiple spatial and temporal scales at different levels and hence it is a typical phenomena of interest exhibiting multiscale characteristic. At the most basic level, properties of solids can be attributed to atomic interactions and crystal structure that can be described on nano scale. Mechanical properties at the macro scale are modeled using continuum mechanics for which we mention stresses and strains. Continuum models, however they offer an efficient way of studying material properties they are not accurate enough and lack microstructural information behind the microscopic mechanics that cause the material to behave in a way it does. Atomistic models are concerned with phenomenon at the level of lattice thereby allowing investigation of detailed crystalline and defect structures, and yet the length scales of interest are inevitably far beyond the reach of full atomistic computation and is rohibitively expensive. This makes it necessary the need for multiscale models. The bottom line and a possible avenue to this end is, coupling different length scales, the continuum and the atomistics in accordance with standard procedures. This is done by recourse to the Cauchy-Born rule and in so doing, we aim at a model that is efficient and reasonably accurate in mimicking physical behaviors observed in nature or laboratory. In this work, we focus on concurrent coupling based on energetic formulations that links the continuum to atomistics. At the atomic scale, we describe deformation of the solid by the displaced positions of atoms that make up the solid and at the continuum level deformation of the solid is described by the displacement field that minimize the total energy. In the coupled model, continuum-atomistic, a continuum formulation is retained as the overall framework of the problem and the atomistic feature is introduced by way of constitutive description, with the Cauchy-Born rule establishing the point of contact. The entire formulation is made in the framework of nonlinear elasticity and all the simulations are carried out within the confines of quasistatic settings. The model gives direct account to measurable features of microstructures developed by crystals through sequential lamination.

The main concern of this contribution is the computational modeling of biomechanically relevant phenomena. To minimize resource requirements, living biomaterials commonly adapt to changing demands. One way to do so is the optimization of mass. For the modeling of biomaterials with changing mass, we distinguish between two different approaches: the coupling of mass changes and deformations at the constitutive level and at the kinematic level. Mass change at the constitutive level is typically realized by weighting the free energy function with respect to the density field, as experimentally motivated by Carter and Hayes [1977] and computationally realized by Harrigan and Hamilton [1992]. Such an ansatz enables the simulation of changes in density while the overall volume remains unaffected. In this contribution we call this effect remodeling. Although in principle applicable for small and large strains, this approach is typically adopted for hard tissues, e.g. bone, which usually undergo small strain deformations. Remodeling in anisotropic materials is realized by choosing an appropriate anisotropic free energy function. <br> Within the kinematic coupling, a changing mass is characterized through a multiplicative decomposition of the deformation gradient into a growth part and an elastic part, as first introduced in the context of plasticity by Lee [1969]. In this formulation, which we will refer to as growth in the following, mass changes are attributed to changes in volume while the material density remains constant. This approach has classically been applied to model soft tissues undergoing large strains, e.g. the arterial wall. The first contribution including this ansatz is the work by Rodriguez, Hoger and McCulloch [1994]. To model anisotropic growth, an appropriate anisotropic growth deformation tensor has to be formulated. In this contribution we restrict ourselves to transversely isotropic growth, i.e., growth characterized by one preferred direction. On that account, we define a transversely isotropic growth deformation tensor determined by two variables, namely the stretch ratios parallel and perpendicular to the characteristic direction. <br> Another method of material optimization is the adaption of the inner structure f a material to its loading conditions. In anisotropic materials this can be realized by a suitable orientation of the material directions. For example, the trabeculae in the human femur head are oriented such that they can carry the daily loads with an optimum mass. Such a behavior can also be observed in soft tissues. For instance, the fibers of muscles and the collagen fibers in the arterial wall are oriented along the loading directions to carry a maximum of mechanical load. If the overall loading conditions change, for instance during a balloon angioplasty or a stent implantation, the material orientation readapts, which we call reorientation. The anisotropy type in biomaterials is often characterized by fiber reinforcement. A particular subclass of tissues, which includes muscles, tendons and ligaments, is featured by one family of fibers. More complex microstructures, such as arterial walls, show two fiber families, which do not necessarily have to be perpendicular. Within this contribution we confine ourselves to the first case, i.e., transversely isotropic materials indicated by one characteristic direction. The reorientation of the fiber direction in biomaterials is commonly smooth and continuous. For transverse isotropy it can be described by a rotation of the characteristic direction. Analogous to the theory of shells, we additionally exclude drilling rotations, see also Menzel [2006]. However, the driving force for these reorientation processes is still under discussion. Mathematical considerations promote strain driven reorientations. As discussed, for instance, in Vianello [1996], the free energy reaches a critical state for coaxial stresses and strains. For transverse isotropy, it can be shown that this can be achieved if the characteristic direction is aligned with a principal strain direction. From a biological point of view, depending on the kind of material (i.e. bone, muscle tissue, cartilage tissue, etc.), both strains and stresses can be suggested as stimuli for reorientation. Thus, whithin this contribution both approaches are investigated. <br> In contrast to previous works, in which remodeling, growth and reorientation are discussed separately, the present work provides a framework comprising all of the three mentioned effects at once. This admits a direct comparison how and on which level the individual phenomenon is introduced into the material model, and which influence it has on the material behavior. For a uniform description of the phenomenological quantities an internal variable approach is chosen. Moreover, we particularly focus on the algorithmic implementation of the three effects, each on its own, into a finite element framework. The nonlinear equations on the local and the global level are solved by means of the Newton-Raphson scheme. Accordingly, the local update of the internal variables and the global update of the deformation field are consistently linearized yielding the corresponding tangent moduli. For an efficient implementation into a finite element code, unitized update algorithms are given. The fundamental characteristics of the effects are illustrated by means of some representative numerical simulations. Due to the unified framework, combinations of the individual effects are straightforward.

Elastomeric and other rubber-like materials are often simultaneously exposed to short- and long-time loads within engineering applications. When aiming at establishing a general simulation tool for viscoelastic media over these different time scales, a suitable material model and its corresponding material parameters can only be determined if an appropriate number of experimental data is taken into account. In this work an algorithm for the identification of material parameters for large strain viscoelasticity is presented. Thereby, data of multiple experiments are considered. Based on this method the experimental loading intervals for long-time experiments can be shortened in time and the parameter identification procedure is now referred to experimental data of tests under short- and long-time loads without separating the parameters due to these different time scales. The employed viscoelastic material law is based on a nonlinear evolution law and valid far from thermodynamic equilibrium. The identification is carried out by minimizing a least squares functional comparing inhomogeneous displacement fields from experiments and FEM simulations at given (measured) force loads. Within this optimization procedure all material parameters are identified simultaneously by means of a gradient based method for which a semi-analytical sensitivity analysis is calculated. Representative numerical examples are referred to measured data for different polyurethanes. In order to show the general applicability of the identification method for multiple tests, in the last part of this work the parameter identification for small strain plasticity is presented. Thereby three similar test programs on three specimen of the aluminum alloy AlSi9Cu3 are analyzed, and the parameter sets for the respective individual identifications, and for the combination of all tests in one identification, is compared.

The main goal of this work is to examine various aspects of `inelastic continuum mechanics': first, fundamental aspects of a general finite deformation theory based on a multiplicative decomposition of the deformation gradient with special emphasis on the incompatibility of the so-called intermediate configuration are discussed in detail. Moreover, various balance of linear momentum representations together with the corresponding volume forces are derived in a configurational mechanics context. Subsequent chapters are consequently based on these elaborations so that the applied multiplicative decomposition generally serves as a fundamental modelling concept in this work; after generalised strain measures are introduced, a kinematic hardening model coupled with anisotropic damage, a substructure evolution framework as well as two different growth and remodelling formulations for biological tissues are presented.

In the present work the modelling and numerical treatment of discontinuities in thermo-mechanical solids is investigated and applied to diverse physical problems. From this topic a structure for this work results, which considers the formulation of thermo-mechanical processes in continua in the first part and which forms the mechanical and thermodynamical framework for the description of discontinuities and interfaces, that is performed in the second part. The representation of the modelling of solid materials bases on the detailed derivation of geometrically nonlinear kinematics, that yields different strain and stress measures for the material and spatial configuration. Accordingly, this results in different formulations of the mechanical and thermodynamical balance equations. On these foundations we firstly derive by means of the concepts of the plasticity theory an elasto-plastic prototype-model, that is extended subsequently. In the centre of interest is the formulation of damage models in consideration of rate-dependent material behaviour. In the next step follows the extension of the isothermal material models to thermo-mechanically coupled problems, whereby also the special case of adiabatic processes is discussed. Within the representation of the different constitutive laws, the importance is attached to their modular structure. Moreover, a detailed discussion of the isothermal and the thermo-mechanically coupled problem with respect to their numerical treatment is performed. For this purpose the weak forms with respect to the different configurations and the corresponding linearizations are derived and discretized. The derived material models are highlighted by numerical examples and also proved with respect to plausibility. In order to take discontinuities into account appropriate kinematics are introduced and the mechanical and thermodynamical balance equations have to be modified correspondingly. The numerical description is accomplished by so-called interface-elements, which are based on an adequate discretization. In this context two application fields are distinguished. On the one side the interface elements provide a tool for the description of postcritical processes in the framework of localization problems, which include material separation and therefore they are appropriate for the description of cutting processes. Here in turn one has to make the difference between the domain-dependent and the domain-independent formulation, which mainly differ in the definition of the interfacial strain measure. On the other side material properties are attached to the interfaces whereas the spatial extension is neglectable. A typical application of this type of discontinuities can be found in the scope of the modelling of composites, for instance. In both applications the corresponding thermo-mechanical formulations are derived. Finally, the different interface formulations are highlighted by some numerical examples and they are also proved with respect to plausibility.

Thermoelasticity represents the fusion of the fields of heat conduction and elasticity in solids and is usually characterized by a twofold coupling. Thermally induced stresses can be determined as well as temperature changes caused by deformations. Studying the mutual influence is subject of thermoelasticity. Usually, heat conduction in solids is based on Fourier’s law which describes a diffusive process. It predicts unnatural infinite transmission speed for parts of local heat pulses. At room temperature, for example, these parts are strongly damped. Thus, in these cases most engineering applications are described satisfactorily by the classical theory. However, in some situations the predictions according to Fourier’s law fail miserable. One of these situations occurs at temperatures near absolute zero, where the phenomenon of second sound1 was discovered in the 20th century. Consequently, non-classical theories experienced great research interest during the recent decades. Throughout this thesis, the expression “non-classical” refers to the fact that the constitutive equation of the heat flux is not based on Fourier’s law. Fourier’s classical theory hypothesizes that the heat flux is proportional to the temperature gradient. A new thermoelastic theory, on the one hand, needs to be consistent with classical thermoelastodynamics and, on the other hand, needs to describe second sound accurately. Hence, during the second half of the last century the traditional parabolic heat equation was replaced by a hyperbolic one. Its coupling with elasticity leads to non-classical thermomechanics which allows the modeling of second sound, provides a passage to the classical theory and additionally overcomes the paradox of infinite wave speed. Although much effort is put into non-classical theories, the thermoelastodynamic community has not yet agreed on one approach and a systematic research is going on worldwide.Computational methods play an important role for solving thermoelastic problems in engineering sciences. Usually this is due to the complex structure of the equations at hand. This thesis aims at establishing a basic theory and numerical treatment of non-classical thermoelasticity (rather than dealing with special cases). The finite element method is already widely accepted in the field of structural solid mechanics and enjoys a growing significance in thermal analyses. This approach resorts to a finite element method in space as well as in time.

Im Zuge der steigenden Anzahl von Einsatzmöglichkeiten der
Faserverbundwerkstoffe in den verschiedensten Industriebereichen spielt die
Entwicklung bzw. Weiterentwicklung neuer und effektiverer Verarbeitungstechniken
eine bedeutende Rolle.
Dabei findet derzeit das Harzinjektionsverfahren (LCM) ausschließlich für kleinere bis
mittlere Stückzahlen seinen Einsatz. Aufgrund der sehr großen Stückzahlen im
Automobilbereich, ist dieses Verfahren hier zurzeit weniger interessant. Daher
werden große Anstrengungen unternommen, das Harzinjektionsverfahren besonders
für solche Bauteile attraktiver zu machen, die gegenwärtig mit Hilfe des Prepreg-
Verfahrens hergestellt werden. Dabei spielt die Reduktion der hier vergleichsweise
hohen Zykluszeit eine tragende Rolle. Die Dauer eines Zyklus wird hierbei
hauptsächlich durch die Vorbereitung und Herstellung der Verstärkungsstruktur
(Preform) sowie durch die Bestückung des Werkzeuges bestimmt. Diese so
genannte Preform-Technik weist daher ein sehr großes Entwicklungspotential auf,
mit dem Ziel, solche Verstärkungsstrukturen herzustellen, die nach der Injektion
keine Nacharbeit erfordern. Solche Strukturen werden auch als „net shape, ready-toimpregnate“-
Preform bezeichnet. Die hierfür notwendigen Techniken stammen
vornehmend aus der Textilindustrie, wie z.B. die direkte Preformtechnik, das Nähen
oder Kleben (Binder-Technik).
Ziel der vorliegenden Dissertation ist es, die Möglichkeiten der Nähtechnik bezogen
auf die Herstellung der Preforms zu untersuchen. Hierfür werden die verschiedenen
Naht- und Verbindungsarten hinsichtlich ihres Einsatzes in der Preformtechnik, wie
die Fixier- und Positionier-, die Füge- oder Verbindungsnaht und die Montagenaht,
untersucht.
Im Rahmen dieser Arbeit wurde zunächst innerhalb einer Studie zur „net shape“-
Preformtechnik eine Versteifungsstruktur entwickelt und hergestellt. Diese Struktur
soll dabei der Veranschaulichung der Möglichkeiten und Einsatzbereiche der
Nähtechnik bei der Preformtechnologie dienen. Zudem kann so ein mehrstufiger
Preformherstellungsprozess demonstriert werden. Ferner zeigt diese Studie, dass
ein hochgradiger, automatisierter Prozess, welcher zudem eine durchgängige
Qualitätskontrolle ermöglicht, realisiert werden konnte. Als ein weiterer Schritt wurde ein Prozess zur Herstellung eine dreidimensionalen
Preform, der die Anwendung verschiedener thermoplastischer,
niedrigtemperaturschmelzender Nähgarne zulässt, ausgearbeitet. Hierbei wurden die
Vorteile der Näh- und der Binder-Technologie miteinander verbunden. Außerdem
konnte durch die bereits formstabile und imprägnierungsfertige Preformstruktur, die
Bestückung des Werkzeuges wesentlich vereinfacht werden. Um die mechanischen
Eigenschaften der Preforms bestimmen zu können, wurden quantitative
Messmethoden erarbeitet. Hierdurch konnten anschließend die Einflüsse der
Orientierung sowie der Stichdichte ermittelt werden. Zudem wurden die folgenden
drei grundlegenden Eigenschaften untersucht: die spezifische Biegesteifigkeit, der so
genannte Rückspringwinkel sowie die Rückstellkraft nach dem Thermoformen
hinsichtlich der verschiedenen Nähtypen.
Um dies zu ergänzen, wurden weiterführende Untersuchungen zu den
Materialeigenschaften der Nähfäden, die bei der dreidimensionalen Preformtechnik
eingesetzt werden können, durchgeführt. Dabei ist neben der niedrigen
Schmelztemperatur die vollständige Auflösbarkeit der Nähgarne in den ungesättigten
Polyester- und Epoxidharzen besonders wichtig. Auf Grund dieser vollständigen
Auflösung der Fäden in der Matrix können die Stichlöcher wieder vollkommen
verschlossen werden. Dadurch kann eine Reduktion des Einflusses solcher
Stichlöcher auf die mechanischen Eigenschaften des Faserverbundwerkstoffes
erreicht werden. Mit Hilfe dieser Untersuchungen wurden schließlich zwei polymere
Nähgarne als vielversprechend beurteilt. Diese weisen eine Schmelztemperatur von
weniger als 100 °C sowie eine gute Lösbarkeit, besonders im Harzsystem RTM 6,
auf.
In der Preformtechnik werden die Nähte nicht nur als Positionier- oder Montagenaht
eingesetzt, sondern können in einer Struktur als auch als Verstärkungselement, eine
so genannte Verstärkungsnaht, verwendet werden. Der Zweck einer solchen Naht ist
die interlaminare Verstärkung von monolitischen oder Sandwichstrukturen. Zudem
besteht die Möglichkeit, diese zur Fixierung von metallischen Funktionselementen
(Inserts) in den Faserverbundwerkstoff zu benutzen. Hinsichtlich diese Möglichkeiten
wurden im Rahmen dieser Arbeit erfolgreich Untersuchung durchgeführt. Dabei
wiesen die eingenähten Krafteinleitungselemente in durchgeführten statischen
Zugversuchen eine annähernd 200 % höhere maximale Zugkraft verglichen mit
entsprechenden Elementen (BigHead®), die nicht durch eine Naht fixiert wurden. Weitere Untersuchungen zeigten auch, dass eine doppelte Naht nicht eine
proportionale Verdoppelung der maximal erreichbaren Zugkraft bewirkt. Der Grund
hierfür liegt an einer partiellen Zerstörung des vorhandenen Nähgarns der ersten
Naht begründet durch den doppelten Einstich in die bereits bestehenden Löcher
beim mehrmaligen Durchlaufen der Nadel. Der größte Verstärkungseffekt konnte
schließlich bei der interlaminaren Einbettung und der Vernähung des Insert erreicht
werden. In diesem Fall kann eine Delamination, wie sie bei lediglich interlaminar
eingebetteten Inserts auftritt, verhindert werden.
Zusätzlich wurden statische Scherversuche durchgeführt, um auch in diesem
Belastungsfall die Versagensart zu untersuchen. Dabei stellte sich heraus, dass nicht
die Nähte sondern der Insert versagte. Auf Grund des Materialbruchs des Inserts,
sowohl in Zug- als auch in Scherversuchen, wurde in einem weiteren Schritt ein
optimiertes Insert entwickelt. Bei diesem wurde der Sockel in soweit modifiziert, dass
die maximale Versagenslast des Nähgarns ermittelt werden konnte. Dabei stellte
sich heraus, dass Glas-, Kohlenstoff- und Aramidfasern sich nur bedingt als
Verstärkungsgarn zur Fixierung von Inserts eignen. Im Gegensatz dazu sind die
Polyestergarne als ausreichende Verstärkung gut geeignet. Weitere Vorteile des
Polyestergarns sind die niedrigeren Kosten sowie die gute Vernähbarkeit.
Anschließend wurde eine solche Verbindung des Inserts mit einem
Faserverbundwerkstoff mit Hilfe der Finite-Elemente-Methode (FEM) simuliert. Dabei
zeigte sich eine gute Übereinstimmung der simulierten Ergebnisse mit denen aus
dem statischen Zugversuch mit dem weiterentwickelten Insert.
Auf Grund der elektrischen Leitfähigkeit von Kohlenstofffasern, können Fäden aus
diesem Material auch als Sensoren zur Überwachung einer Struktur oder Verbindung
eingesetzt werden. Hierfür wurden ebenfalls Untersuchungen durchgeführt. Dabei
konnte mit Hilfe der Änderung des elektrischen Widerstandes auf Schädigungen der
Fasern geschlossen werden. Somit können nicht nur das Bestehen einer
Schädigung, sondern auch der annähernde Ort ermittelt werden. Die
Untersuchungen zeigten somit, dass die Kohlenstofffasern nicht lediglich als
Verstärkung sondern auch als Überwachungssensor bei einem eingebetteten Insert
dienen können.
Im Rahmen aller Untersuchungen konnte das große und vielversprechende Potential
der Nähtechnik bei der Herstellung von Preform-Bauteilen aufgezeigt sowie ein
Einblick in einige von vielen Anwendungsmöglichkeiten gegeben werden.

Sewn net-shape preform based composite manufacturing technology is widely
accepted in combination with liquid composite molding technologies for the
manufacturing of fiber reinforced polymer composites. The development of threedimensional
dry fibrous reinforcement structures containing desired fiber orientation
and volume fraction before the resin infusion is based on the predefined preforming
processes. Various preform manufacturing aspects influence the overall composite
manufacturing processes. Sewing technology used for the preform manufacturing
has number of challenges to overcome which includes consistency in preform quality,
composite quality, and composite mechanical properties.
Experimental studies are undertaken to investigate the influence of various sewing
parameters on the preform manufacturing processes, preform quality, and the fiber
reinforced polymer composite quality and properties. Sewing thread, sewing machine
parameters, shortcomings of sewing process, and remedies are explained according
to their importance during preforming and liquid composite molding. The stitches and
fiber free zone in the form of ellipse that are generated in the thickness direction were
investigated by evaluating the laminate micrographs. Correlation between ellipse
formation phenomenon, sewing thread, and sewing machine parameters is
established. A statistical tool, analysis of variance, was used to emphasize the major
preform processing factors influencing the preform imperfections.
For assessing the preform quality, the observations of sewing thread requirements
for preform and structural sewing were well documented during the experimental
studies and explained according to their significance in the composite processing.
Furthermore, selection criteria for sewing thread according to end application are
discussed in detail. Investigations on polyester sewing thread as a high speed
preform manufacturing element are also performed. Applicability of polyester sewing
thread for the preform sewing and challenges to be overcome for its extensive
utilization in the composite components are explained. Apart from this, influence of
physical structure of sewing thread on the laminate quality and properties are
explained and relationship between them is discussed in brief. Furthermore,
challenges caused due to applied spin-finishes and sizing and remedies for the same
are discussed. Sewing threads made of high performance fibers that are available in the market,
e.g., carbon, glass, and Zylon are studied for effect of thread material on through-thethickness
laminate properties. Threads made up of carbon or glass fibers are very
rigid and produces number of defects, which is a major cause of concern. Optimized
sewing procedure has been implemented to minimize the in-plane and through-thethickness
imperfections and to improve mechanical properties and surface
characteristics of composite laminate.
Preform sewing process and final ready to impregnate preforms were analyzed for
quality appearance. The sewing defects and their influence on composite structure
are monitored. Preform compressibility before and after the sewing operations are
intensively studied and correlation with sewing parameters is developed. Influence of
sewing process parameters on the warpage and change in preform area weight are
also explained in detail. Results of analytical experiments can help to improve further
exploitation of sewn preforms for composite manufacturing and overall preform and
laminate quality.

In recent years, nanofiller-reinforced polymer composites have attracted considerable
interest from numerous researchers, since they can offer unique mechanical,
electrical, optical and thermal properties compared to the conventional polymer
composites filled with micron-sized particles or short fibers. With this background, the
main objective of the present work was to investigate the various mechanical
properties of polymer matrices filled with different inorganic rigid nanofillers, including
SiOB2B, TiOB2B, AlB2BOB3B and multi-walled carbon nanotubes (MWNT). Further, special
attention was paid to the fracture behaviours of the polymer nanocomposites. The
polymer matrices used in this work contained two types of epoxy resin (cycloaliphatic
and bisphenol-F) and two types of thermoplastic polymer (polyamide 66 and isotactic
polypropylene).
The epoxy-based nanocomposites (filled with nano-SiOB2B) were formed in situ by a
special sol-gel technique supplied by nanoresins AG. Excellent nanoparticle
dispersion was achieved even at rather high particle loading. The almost
homogeneously distributed nanoparticles can improve the elastic modulus and
fracture toughness (characterized by KBICB and GBICB) simultaneously. According to
dynamic mechanical and thermal analysis (DMTA), the nanosilica particles in epoxy
resins possessed considerable "effective volume fraction" in comparison with their
actual volume fraction, due to the presence of the interphase. Moreover, AFM and
high-resolution SEM observations also suggested that the nanosilica particles were
coated with a polymer layer and therefore a core-shell structure of particle-matrix was
expected. Furthermore, based on SEM fractography, several toughening
mechanisms were considered to be responsible for the improvement in toughness,
which included crack deflection, crack pinning/bowing and plastic deformation of
matrix induced by nanoparticles.
The PA66 or iPP-based nanocomposites were fabricated by a conventional meltextrusion
technique. Here, the nanofiller content was set constant as 1 vol.%. Relatively good particle dispersion was found, though some small aggregates still
existed. The elastic modulus of both PA66 and iPP was moderately improved after
incorporation of the nanofillers. The fracture behaviours of these materials were
characterized by an essential work fracture (EWF) approach. In the case of PA66
system, the EWF experiments were carried out over a broad temperature range
(23~120 °C). It was found that the EWF parameters exhibited high temperature
dependence. At most testing temperatures, a small amount of nanoparticles could
produce obvious toughening effects at the cost of reduction in plastic deformation of
the matrix. In light of SEM fractographs and crack opening tip (COD) analysis, the
crack blunting induced by nanoparticles might be the major source of this toughening.
The fracture behaviours of PP filled with MWNTs were investigated over a broad
temperature range (-196~80 °C) in terms of notched impact resistance. It was found
that MWNTs could enhance the notched impact resistance of PP matrix significantly
once the testing temperature was higher than the glass transition temperature (TBgB) of
neat PP. At the relevant temperature range, the longer the MWNTs, the better was
the impact resistance. SEM observation revealed three failure modes of nanotubes:
nanotube bridging, debonding/pullout and fracture. All of them would contribute to
impact toughness to a degree. Moreover, the nanotube fracture was considered as
the major failure mode. In addition, the smaller spherulites induced by the nanotubes
would also benefit toughness.

The broad engineering applications of polymers and composites have become the
state of the art due to their numerous advantages over metals and alloys, such as
lightweight, easy processing and manufacturing, as well as acceptable mechanical
properties. However, a general deficiency of thermoplastics is their relatively poor
creep resistance, impairing service durability and safety, which is a significant barrier
to further their potential applications. In recent years, polymer nanocomposites have
been increasingly focused as a novel field in materials science. There are still many
scientific questions concerning these materials leading to the optimal property
combinations. The major task of the current work is to study the improved creep
resistance of thermoplastics filled with various nanoparticles and multi-walled carbon
nanotubes.
A systematic study of three different nanocomposite systems by means of
experimental observation and modeling and prediction was carried out. In the first
part, a nanoparticle/PA system was prepared to undergo creep tests under different
stress levels (20, 30, 40 MPa) at various temperatures (23, 50, 80 °C). The aim was
to understand the effect of different nanoparticles on creep performance. 1 vol. % of
300 nm and 21 nm TiO2 nanoparticles and nanoclay was considered. Surface
modified 21 nm TiO2 particles were also investigated. Static tensile tests were
conducted at those temperatures accordingly. It was found that creep resistance was
significantly enhanced to different degrees by the nanoparticles, without sacrificing
static tensile properties. Creep was characterized by isochronous stress-strain curves,
creep rate, and creep compliance under different temperatures and stress levels.
Orientational hardening, as well as thermally and stress activated processes were
briefly introduced to further understanding of the creep mechanisms of these
nanocomposites. The second material system was PP filled with 1 vol. % 300 nm and 21 nm TiO2
nanoparticles, which was used to obtain more information about the effect of particle
size on creep behavior based on another matrix material with much lower Tg. It was
found especially that small nanoparticles could significantly improve creep resistance.
Additionally, creep lifetime under high stress levels was noticeably extended by
smaller nanoparticles. The improvement in creep resistance was attributed to a very
dense network formed by the small particles that effectively restricted the mobility of
polymer chains. Changes in the spherulite morphology and crystallinity in specimens
before and after creep tests confirmed this explanation.
In the third material system, the objective was to explore the creep behavior of PP
reinforced with multi-walled carbon nanotubes. Short and long aspect ratio nanotubes
with 1 vol. % were used. It was found that nanotubes markedly improved the creep
resistance of the matrix, with reduced creep deformation and rate. In addition, the
creep lifetime of the composites was dramatically extended by 1,000 % at elevated
temperatures. This enhancement contributed to efficient load transfer between
carbon nanotubes and surrounding polymer chains.
Finally, a modeling analysis and prediction of long-term creep behaviors presented a
comprehensive understanding of creep in the materials studied here. Both the
Burgers model and Findley power law were applied to satisfactorily simulate the
experimental data. The parameter analysis based on Burgers model provided an
explanation of structure-to-property relationships. Due to their intrinsic difference, the
power law was more capable of predicting long-term behaviors than Burgers model.
The time-temperature-stress superposition principle was adopted to predict long-term
creep performance based on the short-term experimental data, to make it possible to
forecast the future performance of materials.

Induktionsschweißen kann sowohl für das Schweißen von thermoplastischen Faser-
Kunststoff-Verbunden als auch für das Verbinden von Metall/Faser-Kunststoff-
Verbunden eingesetzt werden. Nach Betrachtung der Möglichkeiten einer solchen
Verbindung wurde festgestellt, dass die Verbindungsqualität durch die
Oberflächenvorbehandlung des metallischen und des polymeren Fügepartners und
durch die Prozessbedingungen bestimmt wird.
Verschiedene neue Werkzeuge (z.B. spezielle Probenhalterungen, temperierbarer
Anpressstempel, Erwärmungs- und Konsolidierungsrolle) wurden entwickelt und in
die Induktionsschweißanlage zur Herstellung von Metall/Faser-Kunststoff-Verbunden
integriert. Topografische Analysen mittels Rasterelektronenmikroskopie und
Laserprofilometrie zeigen einen großen Einfluss der Vorbehandlungsmethoden auf
die Oberflächenrauhigkeit. Zusätzlich ändert die Vorbehandlung die physikalischen
(Oberflächenenergie) und die chemischen Eigenschaften (Atomkonzentration). Die
Eigenschaften der Verbindungen wurden zuerst anhand von Zugscherprüfungen und
parallel durch Oberflächenanalysen untersucht. Die Ergebnisse dieser
Untersuchungen zeigen:
• Die Vorbehandlungsmethoden Korundstrahlen und Sauerbeizen führen bei
dem metallischen Fügepartner zu den höchsten Verbundfestigkeiten. Die
Atmosphären-Plasmareinigung des polymeren Fügepartners ergibt eine
Zunahme der Zugscherfestigkeit von ca. 10 % sowie auch eine Verkleinerung
des Vertrauensbereiches.
• Die Zugscherfestigkeit hängt vom Prozessdruck und damit vom Fließverhalten
des Polymers in der Fügezone ab.
• Die Orientierung der Prüfkraft relativ zur Faserorientierung hat keinen Einfluss
auf die Zugscherfestigkeit der eingesetzten faserverstärkten Materialien.
• Die Leinwand-Bindung, mit mehr polymerreichen Zonen, führt zu einem
geringen Anstieg der Zugscherfestigkeit im Vergleich zu einer Atlas 1/4-
Bindung. Die Gelege-Struktur ergibt durch Faserverschiebungen ähnliche
Festigkeiten wie die Leinwand-Bindung. Es zeigt sich, dass die
Verbundfestigkeit durch das Polymer bestimmt wird. • Die Zugscherfestigkeit gewinnt einen großen Anstieg durch eine zusätzliche
Polymerfolie in der Fügezone. Die Schliffbilder zeigen eine polymere
Zwischenschichtdicke von 5 bis 20 μm für AlMg3-CF/PA66.
• Durch den gezielten Einsatz verschiedener Vorbehandlungsmethoden
(Korundstrahlen mit zusätzlichem Polymer) kann die Zugscherfestigkeit auf bis
zu 14 MPa für AlMg3-CF/PA66-Verbunde und 18 MPa für DC01-CF/PEEKVerbunde
gegenüber dem unbehandelten Zustand verdoppelt werden. Weitere Untersuchungen an den Prozessparametern ergaben für DC01-CF/PEEKVerbunde,
dass folgende Einstellungen zu einer weiteren Steigerung der
Zugscherfestigkeit auf 19 MPa führen:
• Eine Starttemperatur des Anpresstempels von 370 °C.
• Eine Haltezeit von 7 Minuten.
• Eine Abkühlrate von 6 °C/min.
Für AlMg3-CF/PA66 zeigte sich, dass eine Anpresstemperatur von 10 °C zu einer
Zugscherfestigkeit von 14,5 MPa führt. Diese beiden Zugscherfestigkeiten sind
lediglich 10 – 15 % geringer als die unter optimalen Bedingungen hergestellten
Klebeverbindungen.
Erste Untersuchungen zeigen, dass bei galvanischer Korrosion von Metall/FKVVerbunden
eine schnelle Abnahme der Zugscherfestigkeit erfolgt. Hierfür wurden die
Proben drei Wochen in Wasser gelagert. Beim direkten Kontakt zwischen
Kohlenstofffaser und Aluminium erklärt sich dies durch Korrosion in der Fügezone.
Dabei sinken die Zugscherfestigkeiten der Proben bis auf 5 MPa. Bei Proben mit
einer Glasfaserlage als Isolationsschicht zeigen sich keine Korrosionsprodukte und
die Zugscherfestigkeit nimmt um 30 % bis auf 8 – 9 MPa ab.
Bei in Salzwasser gelagerten Proben ist die galvanische Korrosion deutlich stärker
ausgeprägt. Bereits nach einer Woche besitzen die acetongereinigten Proben mit
zusätzlichem Polymer lediglich eine Restzugscherfestigkeit von 3 bis 4 MPa. Die
korundgestrahlten Proben zeigen Korrosionsprodukte am Rande der Fügezone und
in der Fügezone, weisen aber dennoch eine Zugscherfestigkeit von ca. 10 MPa auf.
Die glasfaserverstärkten Proben zeigen weder Korrosionsprodukte noch eine
Abnahme der Zugscherfestigkeit. Dynamisch thermografische Analysen wurden in verschiedenen Umgebungsgasen
durchgeführt, um die Zersetzungstemperatur des faserverstärkten Polymers zu
bestimmen. Im Falle von CF/PA66 führte dies nicht zu einer Vergrößerung des
Prozessfensters, da die Zersetzung hauptsächlich thermisch und nicht thermooxidativ
ist. Die festgestellte Zersetzungstemperatur von CF/PEEK in Luft betrug
550 °C. Die Vergrößerung des Prozessfensters ist für CF/PA66 gering und zeigte
auch keinen Anstieg in der Zugscherfestigkeit nach dem Schweißen in Stickstoff.
Trotzdem hat das Induktionsschweißen unter Schutzgas ein großes Potential für
gesättigte Kohlenwasserstoffe wie z.B. glasfaserverstärktes Polypropylen. Hier wurde
die Zersetzungstemperatur von 230 °C in Luft auf 390 °C in Stickstoff erhöht.
Es wurde ein Demonstrator bestehend aus einem Aluminium-Profil und einer
CF/PA66-Platte hergestellt, womit gezeigt werden konnte, dass die erworbenen
Kenntnisse auch für die industrielle Anwendung umsetzbar sind. Mittels analytischer
Modelle und FE-Berechnungen wurde die induktive Erwärmung erfolgreich
nachgebildet.

Dry Sliding and Rolling Tribotests of Carbon Black Filled EPDM Elastomers and Their FE Simulations
(2008)

Unlubricated sliding systems being economic and environmentally benign are already realized in bearings, where dry metal-plastic sliding pairs successfully replace lubricated metal-metal ones. Nowadays, a considerable part of the tribological research concentrates to realize unlubricated elastomer-metal sliding systems, and to extend the application field of lubrication-free slider elements. In this Thesis, characteristics of the dry sliding and friction are investigated for elastomer-metal sliding pairs. In this study ethylene-propylene-diene rubbers (EPDM) with and without carbon black (CB) filler were used. The filler content of the EPDMs was varied: EPDMs with 0-, 30-, 45- and 60 part per hundred rubber (phr) CB amount were investigated. Quasistatic tension and compression tests and dynamic mechanical thermal analysis (DMTA) were carried out to analyze the static a viscoelastic behavior of the EPDMs. The tribological properties of the EPDMs were investigated using dry roller (metal) – on – plate (rubber) type tests (ROP). During the ROP tests the normal load was varied. The coefficient of friction (COF) and the temperature were registered online during the tests, the loss volumes were determined after certain test durations. The worn surfaces of the rubbers and of the steel counterparts were analyzed using scanning electron microscope (SEM) to determine the wear mechanisms. Because possible chemical changes may take place during dry sliding due to the elevated contact temperature the chemical composition of the surfaces was also analyzed before and after the tribotests. For the latter investigations X-ray photoelectron spectroscopy (XPS), sessil drop tests and Raman spectroscopy were used. In addition, the dry sliding tribotests were simulated using finite element (FE) codes for the better understanding of the related wear mechanisms. Finally, as the internal damping effect of the elastomers plays a great role in the sliding wear process, their viscoelasticity has been taken into account. The effect of viscoelasticity was shown on example of rolling friction. To study the rolling COF for the EPDM with 30 phr CB (EPDM 30) an FE model was created which considered the viscoelastic behavior of the rubber during rolling. The results showed that the incorporated CB enhanced the mechanical and tribological properties (both COF and wear rate have been reduced) of the EPDMs. Further on, the CB content of the EPDM influences fundamentally the observed wear mechanisms. The wear characteristics changed also with the applied normal load. In case of the EPDM 30 a rubber tribofilm was found on the steel counterpart when tests were performed at high normal loads. Analysis of the chemical composition of the surfaces before and after the wear tests does not result in notable changes. It was demonstrated, that the FE method is powerful tool to model both, the dry sliding and rolling performances of elastomers.

Sublimation (Evaporation) is widely used in different industrial applications. The important applications are the sublimation (evaporation) of small particles (solid and liquid), e.g., spray drying and fuel droplet evaporation. Since a few decades, sublimation technology has been used widely together with aerosol technology. This combination is aiming to get various products with desired compositions and morphologies. It can be used in the fields of nanoparticles generation, particle coating through physical vapor deposition (PVD) and particle structuring. This doctoral thesis deals with the experimental and theoretical investigations of sublimation (evaporation) kinetics of fine aerosol particles (droplets). The experimental study was conducted in a test plant including on-line control of the most important paramters, such as heating temperature, gas flow and pressure. On-line and in-line particle measurements (Optical sensor, APS) were employed. Relevant parameters in sublimation (evaporation) such as heating temperature, particle concentration and aerosol residence time were investigated. Polydispersed particles (droplets) were introduced into the test plant as precursor aerosols. Two kinds of materials were used as test materials, including inorganic particles of NH4Cl and organic particles of DEHS. NH4Cl particles with smooth surface and porous structure were put into the experiments, respectively. The influence of the particle morphology on the sublimation process was studied. Basing on the experiments, different theoretical models were developed. The simulation results under different parameters were compared with experimental results. The change of concentration of particles was specially discussed. The discussion was focused on the relationship of the total particle concentration and the change of single particles with diverse initial diameters. The study of the sublimation kinetics of particles with different morphologies and different specific surface areas was carried out. The factor of increased surface area on the sublimation process was taken into the simulation and the results were compared with experimental results. A sublimation (evaporation) kinetics was investigated in this thesis. Basing on the property of a material, such as molecular weight, molecular size and vapor pressure, the sublimation (evaporation) kinetics was described. The optimum sublimation (evaporation) conditions with respect to the material properties were advanced. A Phase Transition Effect during the sublimation (evaporation) was found, which describes the increase of the large particles on the cost of small particles. A similar effect is observed in crystal suspension (called Ostwald ripening) but with another physical background. In order to meet the need of in-line particle measurement, a hot gas sensor (O.P.C.) was developed in this study, for measuring the particle size and the size distribution of an aerosol. With the newly developed measuring cell, the operating conditions of the aerosol could be increased up to 500°C.

The main goal of this work is to model size effects, as they occur in materials with an intrinsic microstructure at the consideration of specimens that are not by orders larger than this microstructure. The micromorphic continuum theory as a generalized continuum theory is well suited to account for the occuring size effects. Thereby additional degrees of freedoms capture the independent deformations of these microstructures, while they provide additional balance equation. In this thesis, the deformational and configurational mechanics of the micromorphic continuum is exploited in a finite-deformation setting. A constitutive and numerical framework is developed, in which also the material-force method is advanced. Furthermore the multiscale modelling of thin material layers with a heterogeneous substructure is of interest. To this end, a computational homogenization framework is developed, which allows to obtain the constitutive relation between traction and separation based on the properties of the underlying micromorphic mesostructure numerically in a nested solution scheme. Within the context of micromorphic continuum mechanics, concepts of both gradient and micromorphic plasticity are developed by systematically varying key ingredients of the respective formulations.

In the present contribution, a general framework for the completely consistent integration of nonlinear dissipative dynamics is proposed, that essentially relies on Finite Element methods in space and time. In this context, fully flexible structures as well as hybrid systems which consist of rigid bodies and inelastic flexible parts are considered. Thereby, special emphasis is placed on the resulting algorithmic fulfilment of fundamental balance equations, and the excellent performance of the presented concepts is demonstrated by means of several representative numerical examples, involving in particular finite elasto-plastic deformations.

The present thesis is concerned with the simulation of the loading behaviour of both hybrid lightweight structures and piezoelectric mesostructures, with a special focus on solid interfaces on the meso scale. Furthermore, an analytical review on bifurcation modes of continuum-interface problems is included. The inelastic interface behaviour is characterised by elastoplastic, viscous, damaging and fatigue-motivated models. For related numerical computations, the Finite Element Method is applied. In this context, so-called interface elements play an important role. The simulation results are reflected by numerous examples which are partially correlated to experimental data.

The main motivation of this contribution is to introduce a computational laboratory to analyse defects and fractures at the sub--micro scale. To this end, we have attempted to present a continuum--atomistic multiscale algorithm for the analysis of crystalline deformation, i.e. we have combined the above--mentioned Cauchy--Born rule within a finite element approximation (FEM) on the continuum region with a molecular dynamics (MD) resolution on the atomistic domain. The aim is twofold: on the one hand the stability, i.e. validity of the Cauchy--Born rule and its transition to non--affine deformation at the micron--scale is studied with the help of molecular dynamics approach to capture fine--scales features; on the other hand a horizontal FEM/MD, i.e. continuum atomistic coupling, is envisaged in order to study representative cases of crystalline defects. To cope with the latter we have introduced a horizontal coupling method for continuum--atomistic analysis.

Nanotechnology is now recognized as one of the most promising areas for technological
development in the 21st century. In materials research, the development of
polymer nanocomposites is rapidly emerging as a multidisciplinary research activity
whose results could widen the applications of polymers to the benefit of many different
industries. Nanocomposites are a new class of composites that are particle-filled
polymers for which at least one dimension of the dispersed particle is in the nanometer
range. In the related area polymer/clay nanocomposites have attracted considerable
interest because they often exhibit remarkable property improvements when
compared to virgin polymer or conventional micro- and macro- composites.
The present work addresses the toughening and reinforcement of thermoplastics via
a novel method which allows us to achieve micro- and nanocomposites. In this work
two matrices are used: amorphous polystyrene (PS) and semi-crystalline polyoxymethylene
(POM). Polyurethane (PU) was selected as the toughening agent for POM
and used in its latex form. It is noteworthy that the mean size of rubber latices is
closely matched with that of conventional toughening agents, impact modifiers.
Boehmite alumina and sodium fluorohectorite (FH) were used as reinforcements.
One of the criteria for selecting these fillers was that they are water swellable/
dispersible and thus their nanoscale dispersion can be achieved also in aqueous
polymer latex. A systematic study was performed on how to adapt discontinuousand
continuous manufacturing techniques for the related nanocomposites.
The dispersion of nanofillers was characterized by transmission, scanning electron
and atomic force microcopy (TEM, SEM and AFM respectively), X-ray diffraction
(XRD) techniques, and discussed. The crystallization of POM was studied by means
of differential scanning calorimetry and polarized light optical microscopy (DSC and
PLM, respectively). The mechanical and thermomechanical properties of the composites
were determined in uniaxial tensile, dynamic-mechanical thermal analysis
(DMTA), short-time creep tests, and thermogravimetric analysis (TGA).
PS composites were produced first by a discontinuous manufacturing technique,
whereby FH or alumina was incorporated in the PS matrix by melt blending with and
without latex precompounding of PS latex with the nanofiller. It was found that direct melt mixing (DM) of the nanofillers with PS resulted in micro-, whereas the latex mediated
pre-compounding (masterbatch technique, MB) in nanocomposites. FH was
not intercalated by PS when prepared by DM. On the other hand, FH was well dispersed
(mostly intercalated) in PS via the PS latex-mediated predispersion of FH following
the MB route. The nanocomposites produced by MB outperformed the DM
compounded microcomposites in respect to properties like stiffness, strength and
ductility based on dynamic-mechanical and static tensile tests. It was found that the
resistance to creep (summarized in master curves) of the nanocomposites were improved
compared to those of the microcomposites. Master curves (creep compliance
vs. time), constructed based on isothermal creep tests performed at different temperatures,
showed that the nanofiller reinforcement affects mostly the initial creep
compliance.
Next, ternary composites composed of POM, PU and boehmite alumina were produced
by melt blending with and without latex precompounding. Latex precompounding
served for the predispersion of the alumina particles. The related MB was produced
by mixing the PU latex with water dispersible boehmite alumina. The composites
produced by the MB technique outperformed the DM compounded composites in
respect to most of the thermal and mechanical characteristics.
Toughened and/or reinforced PS- and POM-based composites have been successfully
produced by a continuous extrusion technique, too. This technique resulted in
good dispersion of both nanofillers (boehmite) and impact modifier (PU). Compared
to the microcomposites obtained by conventional DM, the nanofiller dispersion became
finer and uniform when using the water-mediated predispersion. The resulting
structure markedly affected the mechanical properties (stiffness and creep resistance)
of the corresponding composites. The impact resistance of POM was highly
enhanced by the addition of PU rubber when manufactured by the continuous extrusion
manufacturing technique. This was traced to the dispersed PU particle size being
in the range required from conventional, impact modifiers.

Product development with end-user integration is not an end in itself but a logical necessity due to divergent types of knowledge of the user and the developer of a product. While the user is an expert in regard to the product’s usage the developer is an expert in the product’s construction and functioning. For the development of high-end products both types of expertises were a prerequisite at all times. The efficient and throughout integration of the user’s perspective into existing product development approaches is the core of user-centred product development. Activities that are the basic ingredient of just any user-centred development approach can be roughly categorized into analysis, design and evaluation activities. Research and practice prove the early integration of real end-users within those activities to add significant and sustainable value to product innovation. The instrumental, methodological and procedural impact of globalization tendencies, on modern user-centred product development in particular, is the primary research focus of the field of cross-cultural user-centred product development. This research aims at the further advancement of the methodological foundations of cross-cultural user centred product development approaches based on a stabile and profound theoretical basis. Primary research objects are established user-analysis methodologies, which are mainly based on Western concepts and theories, and their applicability in disparate cultural contexts of the Far East (China and Korea in particular). For facilitating the adaptation of abstract method characteristics to the situational context of method application as foundation of cross-cultural methodological advancement, a model of method localization was developed. In alignment with internationalization and localization activities within product development processes, a framework for localizing user-centred methodologies was developed. Equivalent to internationalization activities of real product development, the abstraction of method traits from specific methodologies is a necessity in a first step. Methodological adaptation with the primary objective of optimizing situational application of a methodology is to be done in a second step – the step of method-localization. This model of method localization and its underlying theories and principles were tested within an extensive empirical study in Germany, China and Korea. Within this study the applicability of six distinct user-centred product development methodologies, each with its very own profile of abstract method traits, was tested with 248 participants in total. Results clearly back the basic hypothesis of method-localization, i.e. that the application of a user-centred methodology rises and falls with the alignment of its characteristic traits with the cross-cultural application context. Beyond, applicability-influencing factors identified within this study could be proven to be valid indicators of adaptation-necessities and –potentials of user-centred product development methodologies.

Elastomers and their various composites, and blends are frequently used as engineering working parts subjected to rolling friction movements. This fact already substantiates the importance of a study addressing the rolling tribological properties of elastomers and their compounds. It is worth noting that until now the research and development works on the friction and wear of rubber materials were mostly focused on abrasion and to lesser extent on sliding type of loading. As the tribological knowledge acquired with various counterparts, excluding rubbers, can hardly be adopted for those with rubbers, there is a substantial need to study the latter. Therefore, the present work was aimed at investigating the rolling friction and wear properties of different kinds of elastomers against steel under unlubricated condition. In the research the rolling friction and wear properties of various rubber materials were studied in home-made rolling ball-on-plate test configurations under dry condition. The materials inspected were ethylene/propylene/diene rubber (EPDM) without and with carbon black (EPDM_CB), hydrogenated acrylonitrile/butadiene rubber (HNBR) without and with carbon black/silica/multiwall carbon nanotube (HNBR_CB/silica/MWCNT), rubber-rubber hybrid (HNBR and fluororubber (HNBR-FKM)) and rubber-thermoplastic blend (HNBR and cyclic butylene terephthalate oligomers (HNBR-CBT)). The dominant wear mechanisms were investigated by scanning electron microscopy (SEM), and analyzed as a function of composition and testing conditions. Differential scanning calorimetry (DSC), dynamic-mechanical thermal analysis (DMTA), atomic force microscopy (AFM), and transmission electron microscopy (TEM) along with other auxiliary measurements, were adopted to determine the phase structure and network-related properties of the rubber systems. The changes of the friction and wear as a function of type and amount of the additives were explored. The friction process of selected rubbers was also modelled by making use of the finite element method (FEM). The results show that incorporation of filler enhanced generally the wear resistance, hardness, stiffness (storage modulus), and apparent crosslinking of the related rubbers (EPDM-, HNBR- and HNBR-FKM based ones), but did not affect their glass transition temperature. Filling of rubbers usually reduced the coefficient of friction (COF). However, the tribological parameters strongly depended also on the test set-up and test duration. High wear loss was noticed for systems showing the occurrence of Schallamach-type wavy pattern. The blends HNBR-FKM and HNBR-CBT were two-phase structured. In HNBR-FKM, the FKM was dispersed in form of large microscaled domains in the HNBR matrix. This phase structure did not change by incorporation of MWCNT. It was established that the MWCNT was preferentially embedded in the HNBR matrix. Blending HNBR with FKM reduced the stiffness and degree of apparent crosslinking of the blend, which was traced to the dilution of the cure recipe with FKM. The coefficient of friction increased with increasing FKM opposed to the expectation. On the other hand, the specific wear rate (Ws) changed marginally with increasing content of FKM. In HNBR-CBT hybrids the HNBR was the matrix, irrespective to the rather high CBT content. Both the partly and mostly polymerized CBT ((p)CBT and pCBT, respectively) in the hybrids worked as active filler and thus increased the stiffness and hardness. The COF and Ws decreased with increasing CBT content. The FEM results in respect to COF achieved on systems possessing very different structures and thus properties (EPDM_30CB, HNBR-FKM 100-100 and HNBR-(p)CBT 100-100, respectively) were in accordance with the experimental results. This verifies that FEM can be properly used to consider the complex viscoelastic behaviour of rubber materials under dry rolling condition.

Microfibrillar reinforced composites (MFC) have attracted considerable academic and practical interests after the concept was introduced more than a decade years ago. This new type of composites will be created by blending of two polymers with different melting temperatures and processing the blend under certain thermo-mechanical conditions to generate in-situ formed microfibrils of the higher melting polymer grade of temperature in the blend. The compression molded microfibrillar composites were reported to possess excellent mechanical properties and thus they are promising materials for different applications. In the present work, a typical immiscible polymer blend PET/PP was selected for the preparation of PET/PP, PET/PP/TiO2 microfibrillar reinforced composites. The objective of this study is to analyse the processing-structure-property relationship in the PET/PP based MFCs. The morphology of the PET microfibrils and the dispersion of the TiO2 nanoparticles were characterized by scanning electron microscopy (SEM) and transmission electron microscopy (TEM), and discussed. The crystallization behaviour of PET and PP was studied by means of differential scanning calorimetry (DSC). The thermomechanical and mechanical properties of the composites were determined by dynamic mechanical thermal analysis (DMTA) and uniaxial tensile tests and the related results discussed as a function of the composition of the corresponding system. During stretching of the PET/PP extrudate, the PET dispersed phase was deformed into microfibrils. These microfibrils were still well persevered after compression molding of the drawn strands. Therefore the PET microfibrils acted as the reinforcement for the PP matrix. Compared with neat PP, the tensile properties of the PET/PP MFC were greatly improved. For the PET/PP/TiO2 MFC, the effects of polypropylene grafted maleic anhydride (PP-g-MA, introduced as compatibilizer) and TiO2 particles on the structure and properties of drawn strands and composites were investigated. Upon the addition of PP-g-MA, the preferential location of TiO2 particles changed: they migrated from the PET dispersed phase to the continuous PP matrix phase. This was accompanied with structural changes of the drawn strands. The microfibril formation mechanism was also investigated. After injection molding of the microfibrillar composites, the preferential location of TiO2 particles was still preserved. DMTA analysis of drawn strands, the tensile and impact tests of the composites demonstrated that the mechanical properties of the drawn strands of the microfibrillar composites were strongly dependent on the respective structures of the tested materials. To further investigate the preferential location of TiO2 particles in the PET/PP blend which were discovered during the preparation of PET/PP/TiO2 MFCs, PET/PP/TiO2 ternary nanocomposites were prepared according to four blending procedures. The preferential location of TiO2 nanoparticles was influenced by the blending sequence and the amount of PP-g-MA incorporated. Furthermore, it was discovered that TiO2 nanoparticles exerted a compatibilizing effect on the morphology of the composites. Three different compatibilization mechanisms of nanoparticles were proposed depending on the location of the nanoparticles.

Proprietary polyurea based thermosets (3P resins) were produced from polymeric methylene diphenylisocyanate (PMDI) and water glass (WG) using a phosphate emulsifier. Polyisocyanates when combined with WG in presence of suitable emulsifier result in very versatile products. WG acts in the resulting polyurea through a special sol-gel route as a cheap precursor of the silicate (xerogel) filler produced in-situ. The particle size and its distribution of the silicate are coarse and very broad, respectively, which impart the mechanical properties of the 3P systems negatively. The research strategy was to achieve initially a fine water in oil type (W/O = WG/PMDI) emulsion by “hybridising” the polyisocyanate with suitable thermosetting resins (such as vinylester (VE), melamine/formaldehyde (MF) or epoxy resin (EP)). As the presently used phosphate emulsifiers may leak into the environment, the research work was directed to find such “reactive” emulsifiers which can be chemically built in into the final polyurea-based thermosets. The progressive elimination of the organic phosphate, following the European Community Regulation on chemicals and their safe use (REACH), was studied and alternative emulsifiers for the PMDI/WG systems were found. The new hybrid systems in which the role of the phosphate emulsifier has been overtaken by suitable resins (VE, EP) or additives (MF) are designed 2P resins. Further, the cure behaviour (DSC, ATR-IR), chemorheology (plate/plate rheometer), morphology (SEM, AFM) and mechanical properties (flexure, fracture mechanics) have been studied accordingly. The property upgrade targeted not only the mechanical performances but also thermal and flame resistance. Therefore, emphasis was made to improve the thermal and fire resistance (e.g. TGA, UL-94 flammability test) of the in-situ filled hybrid resins. Improvements on the fracture mechanical properties as well as in the flexural properties of the novel 3P and 2P hybrids were obtained. This was accompanied in most of the cases by a pronounced reduction of the polysilicate particle size as well as by a finer dispersion. Further the complex reaction kinetics of the reference 3P was studied, and some of the main reactions taking place during the curing process were established. The pot life of the hybrid resins was, in most of the cases, prolonged, which facilitates the posterior processing of such resins. The thermal resistance of the hybrid resins was also enhanced for all the novel hybrids. However, the hybridization strategy (mostly with EP and VE) did not have satisfactory results when taking into account the fire resistance. Efforts will be made in the future to overcome this problem. Finally it was confirmed that the elimination of the organic phosphate emulsifier was feasible, obtaining the so called 2P hybrids. Those, in many cases, showed improved fracture mechanical, flexural and thermal resistance properties as well as a finer and more homogeneous morphology. The novel hybrid resins of unusual characteristics (e.g. curing under wet conditions and even in water) are promising matrix materials for composites in various application fields such as infrastructure (rehabilitation of sewers), building and construction (refilling), transportation (coating of vessels, pipes of improved chemical resistance)…