The 20 most recently published documents
This thesis is concerned with the modeling of the solid-solid phase transformation, such as the martensitic transformation. The allotropes austenite and martensite are important for industry applications. As a result of its ductility, austenite is desired in the bulk, as opposed to martensite, which desired in the near surface region. The phase field method is used to model the phase transformation by minimizing the free energy. It consists of a mechanical part, due to elastic strain and a chemical part, due to the martensitic transformation. The latter is temperature dependent. Therefore, a temperature dependent separation potential is presented here. To accommodate multiple orientation variants, a multivariant phase field model is employed. Using the Khachaturyan approach, the effective material parameters can be used to describe a constitutive model. This however, renders the nodal residual vector and elemental tangent matrix directly dependent on the phase, making a generalization complicated. An easier approach is the use of the Voigt/Taylor homogenization, in which the energy and their derivatives are interpolated creating an interface for material law of the individual phases.
Die Verwendung von Sheet-Molding-Compounds (SMCs) unter dauerhaft wirkenden
statischen Lasten und erhöhten Temperaturen lässt die Frage nach der Materialkriechneigung
aufkommen. Während der Kriecheffekt bisher viel Aufmerksamkeit im thermoplastischen
Polymerbereich erhielt, zeigt diese Arbeit auf, dass auch duroplastische,
wirrfaserverstärkte Matrixsysteme von dem Phänomen in kritischen Größenordnungen
betroffen sein können. Es wurden Kriechuntersuchungen an einem glas- und einem
carbonfaserverstärkten SMC durchgeführt. Die Untersuchungen wurden bei einer
Temperatur von 120 °C durchgeführt, welche von einer möglichen Anwendung in einem
E-Motor herrührt. Die Charakterisierung des Kriechens in der Faserebene zeigte
die Schwierigkeit einer zuverlässigen Kriechversagensvorhersage bei der Beanspruchung
in der Faserebene auf. Kriechdehnungsverläufe zeigen deutliche Unterschiede
bei Beanspruchung auf Zug und Druck bei den vorgestellten Wirrfasermaterialien.
Gängige FE- (Finite Elemente) Anwendungen sind, wie Untersuchungen in dieser Arbeit
feststellen, über Standardverfahren nicht in der Lage, zuverlässige Kriechvorhersagen
von Faserkunststoffverbundbauteilen bei einer Mischbeanspruchung vorherzusagen.
Es wurden mögliche Implementierungsansätze für FE-Programme vorgeschlagen,
um eine beschriebene Kriechvorhersage zu bewerkstelligen.
Es wurde jedoch herausgefunden, dass die isotrope Kriechmodellierung, welche in
gängigen FE-Programmen bereits implementiert ist, bei uniaxialem Spannungszustand
im eigentlich anisotropen SMC-Material verwendbar ist. Ein solcher uniaxialer
Spannungszustand mit relevantem Anwendungsszenario ist beispielsweise bei Verschraubungen
vorhanden. Die Druckbeanspruchung im Faserkunststoffverbundmaterial
durch die Schraubenvorspannkraft führt zu einem Kriechen in Dickenrichtung. Die
Charakterisierung des Kriechens in Dickenrichtung ermöglichte die zuverlässige Vorhersage,
der über die Zeit schwindenden Vorspannkraft von verschraubten SMC-Testplatten.
Vorteilhaft ist hier, für die künftige Auslegung von verschraubten SMC-Verbindungselementen,
dass die Kriechuntersuchungen für die verwendete Materialkarte in
der Simulation vergleichbar geringen Versuchsaufwand benötigen. Die Messung kann
in einer Universalprüfmaschine durchgeführt werden. Die Basis für die Kriechmessdaten
bildeten zwei Druckversuche an gestackten Coupons über einen Zeitraum von je
84 h.Die Extrapolation dieser Messdaten ermöglicht eine zuverlässige Schraubenkraftvorhersage für Zeiten von (mindestens) 1000 h. Die Kriechmessdaten
wurden mit dem Norton-Bailey-Kriechgesetz approximiert. Das Norton-Bailey-Kriechgesetz
ist standardmäßig in allen gängigen FE-Programmen verwendbar, was dem
Anwender eine einfache Berechnung ermöglicht.
The 22 wt.% Cr, fully ferritic stainless steel Crofer®22 H has higher thermomechanical
fatigue (TMF)- lifetime compared to advanced ferritic-martensitic P91, which is assumed to be caused
by different damage tolerance, leading to differences in crack propagation and failure mechanisms.
To analyze this, instrumented cyclic indentation tests (CITs) were used because the material’s
cyclic hardening potential—which strongly correlates with damage tolerance, can be determined
by analyzing the deformation behavior in CITs. In the presented work, CITs were performed for
both materials at specimens loaded for different numbers of TMF-cycles. These investigations show
higher damage tolerance for Crofer®22 H and demonstrate changes in damage tolerance during
TMF-loading for both materials, which correlates with the cyclic deformation behavior observed in
TMF-tests. Furthermore, the results obtained at Crofer®22 H indicate an increase of damage tolerance
in the second half of TMF-lifetime, which cannot be observed for P91. Moreover, CITs were performed
at Crofer®22 H in the vicinity of a fatigue crack, enabling to locally analyze the damage tolerance.
These CITs show differences between crack edges and the crack tip. Conclusively, the presented
results demonstrate that CITs can be utilized to analyze TMF-induced changes in damage tolerance.
A novel shadowgraphic inline probe to measure crystal size distributions (CSD),
based on acquired greyscale images, is evaluated in terms of elevated temperatures and fragile
crystals, and compared to well-established, alternative online and offline measurement techniques,
i.e., sieving analysis and online microscopy. Additionally, the operation limits, with respect to
temperature, supersaturation, suspension, and optical density, are investigated. Two different
substance systems, potassium dihydrogen phosphate (prisms) and thiamine hydrochloride (needles),
are crystallized for this purpose at 25 L scale. Crystal phases of the well-known KH2PO4/H2O system
are measured continuously by the inline probe and in a bypass by the online microscope during
cooling crystallizations. Both measurement techniques show similar results with respect to the crystal
size distribution, except for higher temperatures, where the bypass variant tends to fail due to
blockage. Thiamine hydrochloride, a substance forming long and fragile needles in aqueous solutions,
is solidified with an anti-solvent crystallization with ethanol. The novel inline probe could identify
a new field of application for image-based crystal size distribution measurements, with respect
to difficult particle shapes (needles) and elevated temperatures, which cannot be evaluated with
common techniques.
One of the ongoing tasks in space structure testing is the vibration test, in which a given structure is mounted onto a shaker and excited by a certain input load on a given frequency range, in order to reproduce the rigor of launch. These vibration tests need to be conducted in order to ensure that the devised structure meets the expected loads of its future application. However, the structure must not be overtested to avoid any risk of damage. For this, the system’s response to the testing loads, i.e., stresses and forces in the structure, must be monitored and predicted live during the test. In order to solve the issues associated with existing methods of live monitoring of the structure’s response, this paper investigated the use of artificial neural networks (ANNs) to predict the system’s responses during the test. Hence, a framework was developed with different use cases to compare various kinds of artificial neural networks and eventually identify the most promising one. Thus, the conducted research accounts for a novel method for live prediction of stresses, allowing failure to be evaluated for different types of material via yield criteria
In this paper, the effect of shot peening and cryogenic turning on the surface morphologyof the metastable austenitic stainless steel AISI 347 was investigated. In the shot peeningprocess, the coverage and the Almen intensity, which is related to the kinetic energy of thebeads, were varied. During cryogenic turning, the feed rate and the cutting edge radiuswere varied. The manufactured workpieces were characterized by X-ray diffractionregarding the phase fractions, the residual stresses and the full width at half maximum.The microhardness in the hardened surface layer was measured to compare the hardeningeffect of the processes. Furthermore, the surface topography was also characterized. Thenovelty of the research is the direct comparison of the two methods with identical work-pieces (same batch) and identical analytics. It was found that shot peening generally leadsto a more pronounced surface layer hardening, while cryogenic turning allows the hard-ening to be realized in a shorter process chain and also leads to a better surface topog-raphy. For both hardening processes it was demonstrated how the surface morphology canbe modified by adjusting the process parameter.
We have investigated urine samples after coffee consumption using targeted and untargeted
approaches to identify furan and 2-methylfuran metabolites in urine samples by UPLC-qToF.
The aim was to establish a fast, robust, and time-saving method involving ultra-performance
liquid chromatography-quantitative time-of-flight tandem mass spectrometry (UPLC-qToF-MS/MS).
The developed method detected previously reported metabolites, such as Lys-BDA, and others that
had not been previously identified, or only detected in animal or in vitro studies. The developed
UPLC-qToF method detected previously reported metabolites, such as lysine-cis-2-butene-1,4-dial
(Lys-BDA) adducts, and others that had not been previously identified, or only detected in animal
and in vitro studies. In sum, the UPLC-qToF approach provides additional information that may be
valuable in future human or animal intervention studies.
Financing measures and incentive schemes for (existing and new) building owners can promote the sustainable settlement development of rural regions or municipalities and, in a wider sense, entire countries or cross-border regions. In order to be used on a broad scale, the concept of revolving funds must continue to be further developed. In this research, the concept of an advanced revolving housing fund (ARF) for building owners to support the sustainable development of rural regions and potential mechanisms are introduced. The ARF is designed to reflect impacts and challenges with regard to rural regions in Germany, Europe and beyond. Based on New Institutional Economics, the Theory of Spatial Organisms, an expert workshop, interviews and discussions and further literature research, the fundamentals for incentive schemes and the essential mechanisms and design aspects of the ARF are derived. This includes the principal structure and governance of a holding fund and several regional funds. Based on this, input parameters for the financial modelling of an ARF are presented as well as guiding elements for empirical testing to promote more research in this area. It is found that the ARF should have a regional focus and must be a comprehensive instrument of settlement development with additional informal and formal measures. The developed concept promises new impulses, in particular, for rural regions. It is proposed to test the concept by means of case studies in pioneer regions of different countries
Kinetic models of human motion rely on boundary conditions which are defined by the interaction of the body with its environment. In the simplest case, this interaction is limited to the foot contact with the ground and is given by the so called ground reaction force (GRF). A major challenge in the reconstruction of GRF from kinematic data is the double support phase, referring to the state with multiple ground contacts. In this case, the GRF prediction is not well defined. In this work we present an approach to reconstruct and distribute vertical GRF (vGRF) to each foot separately, using only kinematic data. We propose the biomechanically inspired force shadow method (FSM) to obtain a unique solution for any contact phase, including double support, of an arbitrary motion. We create a kinematic based function, model an anatomical foot shape and mimic the effect of hip muscle activations. We compare our estimations with the measurements of a Zebris pressure plate and obtain correlations of 0.39≤r≤0.94 for double support motions and 0.83≤r≤0.87 for a walking motion. The presented data is based on inertial human motion capture, showing the applicability for scenarios outside the laboratory. The proposed approach has low computational complexity and allows for online vGRF estimation.
Solar radiation data is essential for the development of many solar energy applications ranging from thermal collectors to building simulation tools, but its availability is limited, especially the diffuse radiation component. There are several studies aimed at predicting this value, but very few studies cover the generalizability of such models on varying climates. Our study investigates how well these models generalize and also show how to enhance their generalizability on different climates. Since machine learning approaches are known to generalize well, we apply them to truly understand how well they perform on different climates than they are originally trained. Therefore, we trained them on datasets from the U.S. and tested on several European climates. The machine learning model that is developed for U.S. climates not only showed low mean absolute error (MAE) of 23 W/m2, but also generalized very well on European climates with MAE in the range of 20 to 27 W/m2. Further investigation into the factors influencing the generalizability revealed that careful selection of the training data can improve the results significantly
Potassium (K) is essential for the processes critical for plant performance, including photosynthesis, carbon assimilation, and response to stress. K also influences translocation of sugars in the phloem and regulates sucrose metabolism. Several plant species synthesize polyols and transport these sugar alcohols from source to sink tissues. Limited knowledge exists about the involvement of K in the above processes in polyol-translocating plants. We, therefore, studied K effects in Plantago major, a species that accumulates the polyol sorbitol to high concentrations. We grew P. major plants on soil substrate adjusted to low-, medium-, or high-potassium conditions. We found that biomass, seed yield, and leaf tissue K contents increased in a soil K-dependent manner. K gradually increased the photosynthetic efficiency and decreased the non-photochemical quenching. Concomitantly, sorbitol levels and sorbitol to sucrose ratio in leaves and phloem sap increased in a K-dependent manner. K supply also fostered plant cold acclimation. High soil K levels mitigated loss of water from leaves in the cold and supported cold-dependent sugar and sorbitol accumulation. We hypothesize that with increased K nutrition, P. major preferentially channels photosynthesis-derived electrons into sorbitol biosynthesis and that this increased sorbitol is supportive for sink development and as a protective solute, during abiotic stress
In this dissertation, I will present the studies conducted during my doctoral studies. In spite of a lot of research in the last decades, the complex cognitive processes underlying human memory are not fully unraveled. Furthermore, the development of neuroscientific methods like functional mag-netic resonance imaging (fMRI) and event-related potentials (ERPs) have further build a founda-tion for new insights. Naturally, the utilization of these techniques led to further adaptation of both these techniques and the paradigms in which they have been employed. This can be observed in the research literature on episodic memory retrieval. Familiarity and recollection, have been found to be the chief factors at play during memory retrieval. The two processes have been thoroughly characterized in several studies and reviews (e.g., Mecklinger, 2000; Rugg & Curran, 2007; Yonelinas, 2002; Zimmer & Ecker, 2010), yet there are still open questions that have to be ad-dressed by researchers in this field (c.f., Leynes, Bruett, Krizan, & Veloso, 2017; MacLeod & Donaldson, 2017).
In order to answer these questions, we conducted several studies during my doctoral studies. In Study 1, we developed a paradigm to investigated episodic memory using ERPs. In the study phase, pictorial stimuli were presented which at test were either perceptually identical, perceptually changed, or entirely new. Data collected from a sample of young adults revealed that the paradigm was suitable to elicit ERP correlates of both familiarity and recollection. As the newly developed paradigm yielded similar results as existing literature, we then applied this paradigm in two devel-opmental populations, second-graders and fifth-graders. According to the ERPs, the younger chil-dren seemed to rely on recollection alone, whereas ERPs of older children suggested the use of familiarity for perceptually identical items and only after intentional encoding. In a follow-up study two years later, we used the results from both studies to only slightly refine the paradigm, again administering it to young adults. In this study, Study 3, we found that ERP correlates were much smaller than in the earlier studies, hence we used a data-driven approach to detect time windows of interest. In spite of the large body of research on episodic memory, these studies serve to demon-strate that episodic memory is a complex interplay of several contributing cognitive processes which need to assessed carefully in order to unravel the key factors at play during familiarity and recollection.
Using industrial robots for machining applications in flexible manufacturing
processes lacks a high accuracy. The main reason for the deviation is the
flexibility of the gearbox. Secondary Encoders (SE) as an additional, high precision
angle sensor offer a huge potential of detecting gearbox deviations. This paper
aims to use SE to reduce gearbox compliances with a feed forward, adaptive
neural control. The control network is trained with a second network for system
identification. The presented algorithm is capable of online application and optimizes
the robot accuracy in a nonlinear simulation.
In today’s computer networks we see an ongoing trend towards wireless communication technologies, such as Wireless LAN, Bluetooth, ZigBee and cellular networks. As the electromagnetic spectrum usable for wireless communication is finite and largely allocated for exclusive use by respective license holders, there are only few frequency bands left for general, i.e. unlicensed, use. Subsequently, it becomes apparent, that there will be an overload situation in the unlicensed bands, up to a point where no communication is possible anymore. On the other hand, it has been observed that licensed frequency bands often go unused, at least at some places or over time. Mitola combined both observations and found the term Cognitive Radio Networks [Mit00], denoting a solution for spectrum scarcity. In this concept, so called Secondary Users are allowed to also use licensed bands (attributed to a Primary User) as long as it is vacant.
In such networks, all obligations reside with Secondary Users, especially, they must avoid any interference with the Primary User. They must therefore reliably sense the presence of Primary Users and must decide which available spectrum to use. These two functionalities are called Spectrum Sensing and Spectrum Mobility and describe 2 out of 4 core functionalities of Cognitive Radio Networks and are considered in this thesis.
Regarding Spectrum Sensing, we present our own approach for energy detection in this thesis. Energy detection essentially works by comparing measured energy levels to a threshold. The inherent problem is on how to find such thresholds. Based on existing work we found in literature, we improve techniques and assert the effectiveness of our additions by conducting real world experiments.
Regarding Spectrum Mobility, we concentrate on the point, where the Primary User shows up. At this point, nodes must not use the current channel anymore, i.e. they also have no possibility to agree on another channel to switch to. We solve this problem by employing channel switching, i.e. we change channels proactively, following a schedule shared by all nodes of the network. The main contribution of this thesis is on how to synthesize those schedules to guarantee robust operation under changing conditions. For integration, we considered three dimensions of robustness (of time, of space and of channel) and, based on our algorithms and findings, defined a network protocol, which addresses perturbation within those dimensions. In an evaluation, we showed that the protocol is actually able to maintain robust operation, even if there are large drops in channel quality.
Das Ziel der vorliegenden Arbeit war es, eine lokale Version des Programmpakets Turbomole um eine Methode zu erweitern, die die Berechnung elektronischer Anregungsenergien und Übergangsmomente unter Berücksichtigung der Spin-Bahn-Wechselwirkung mit Hilfe quasirelativistischer zeitabhängiger Dichtefunktionaltheorie (TD-DFT) ermöglicht. Dazu wurde ein bereits existierender zweikomponentiger TD-DFT-Ansatz verwendet und so erweitert, dass auch offenschalige Systeme mit gradientenkorrigier ten Funktionalen berechnet werden können.
Die gewählte Implementierung ist unabhängig von der zweikomponentigen Methode, die Tatsache, dass die Molekülorbitale in einem quasirelativistischen Formalismus durch zweikomponentige, komplexe Spinoren dargestellt werden, erforderte jedoch die weitestgehende Verwendung komplexer Arithmetik.
Des Weiteren wurde das Verhalten des implementierten Austausch-Korrelations-Kernels (XC-Kernel), die Schlüsselgröße der TD-DFT, für kleine Spindichten untersucht. Dabei konnte gezeigt werden, dass die numerische Berechnung der Matrixelemente des XC-Kernels an Punkten des Integrationsgitters, für die die Spindichte gegen null geht, ihr Gradient hingegen nicht, durchaus problematisch ist und eine Regularisierung des XC-Kernels erfordert. Alternativen zur Regularisierung, wie beispielsweise die Verwendung eines Kernels ohne Gradiententerme oder Modifikationen am Funktional selbst, sind in der Literatur bekannt, im Rahmen dieser Arbeit konnte jedoch ein Ansatz entwickelt werden, der keine Veränderungen am Funktional erfordert und die Verwendung eines Kernels mit Gradientenkorrektur ermöglicht. Dazu wurde das Integrationsgitter in zwei Bereiche, abhängig von der Spindichte und ihrem Gradienten, eingeteilt. In den jeweiligen Bereichen wird nun zur Berechnung der Matrixelemente entweder der XC-Kernel für offen- oder geschlossenschalige Systeme verwendet. Für einen möglichst „glatten“ Übergang zwischen den beiden Bereichen wurde ein weiterer Bereich definiert, in dem ein mit einer Umschaltfunktion gewichteter Mittelwert beider Grenzfälle verwendet wird.
Mit dem im Rahmen dieser Arbeit entwickelten Programm ist es nun möglich, basierend auf einer zweikomponentigen Rechnung am offen- oder geschlossenschaligen Grundzustand, TD-DFT-Rechnungen mit gängigen Standarddichtefunktionalen durchzuführen. Da sowohl spinerhaltende als auch spin flip Anregungen berücksichtigt werden, erhält man mit einem Eindeterminantenansatz Informationen, die sonst nur mit Hilfe von deutlich aufwendigeren Mehrdeterminantenansätzen zugänglich sind.
Designing exotic structures in low dimensions is key in today’s quest to tailor novel quantum states
in materials with unique symmetries. Particularly intriguing materials in this regard are low
dimensional aperiodic structures with non-conventional symmetries that are otherwise forbidden
in translation symmetric crystals. In our work, we focus on the link between the structural and
electronic properties of aperiodically ordered aromatic molecules on a quasicrystalline surface,
which has largely been neglected so far. As an exemplary case, we investigate the self-assembly and
the interfacial electronic properties of the nano-graphene-like molecule coronene on the bulk
truncated icosahedral (i) Al–Pd–Mn quasicrystalline surface using multiple surface sensitive
techniques. We find an aperiodically ordered coronene monolayer (ML) film on the i-Al–Pd–Mn
surface that is characterized by the same local motifs of the P1 Penrose tiling model as the bare
i-Al–Pd–Mn surface. The electronic valence band structure of the coronene/i-Al–Pd–Mn system
is characterized by the pseudogap of the bare i-Al–Pd–Mn, which persists the adsorption of
coronene confirming the quasiperiodic nature of the interface. In addition, we find a newly formed
interface state of partial molecular character that suggests an at least partial chemical interaction
between the molecule and the quasicrystalline surface. We propose that this partial chemical
molecule–surface interaction is responsible for imprinting the quasicrystalline order of the surface
onto the molecular film.
Phosphodiesterases (PDEs) are essential enzymes for the regulation of pathways mediated
by cyclic adenosine monophosphate (cAMP). Secondary plant compounds like anthocyanins (ACs)
can inhibit PDE activity and, consequently, may be beneficial for lipid metabolism. This study
investigated 18 AC-rich juice extracts and pure reference compounds from red fruits for potential
inhibitory effects on PDE 3B activity. Extracts were obtained through adsorption on Amberlite® XAD
7 resin. Based on this screening, the chokeberry, blueberry, pomegranate, and cranberry extracts
were active, with half maximal inhibitory concentrations (IC50) ranging from 163 ± 3 µg/mL to
180 ± 3 µg/mL. The ACs in these extracts, peonidin-3-glucoside and cyanidin-3-arabinoside, were the
most active single compounds (IC50 = 56 ± 20 µg/mL, 108 ± 6 µg/mL). All extracts comprised high
amounts of phenolic compounds, as determined by the Folin–Ciocalteu assay, ranging from 39.8 ± 1.5
to 73.5 ± 4.8 g gallic acid equivalents (GAE)/100 g extract. Pomegranate and chokeberry extracts
exhibited the largest amounts of polyphenols (72.3 ± 0.7 g GAE/100 g, 70.6 ± 4.1 g GAE/100 g,
respectively). Overall, our results showed that fruit juice extracts and their ACs can inhibit PDE
activity. Any potential health benefits in vivo will be investigated in the future.
CRISPR/Cas has become the state-of-the-art technology for genetic manipulation in diverse
organisms, enabling targeted genetic changes to be performed with unprecedented efficiency. Here we report on the first establishment of robust CRISPR/Cas editing in the important necrotrophic plant pathogen Botrytis cinerea based on the introduction of optimized
Cas9-sgRNA ribonucleoprotein complexes (RNPs) into protoplasts. Editing yields were further improved by development of a novel strategy that combines RNP delivery with cotransformation of transiently stable vectors containing telomeres, which allowed temporary
selection and convenient screening for marker-free editing events. We demonstrate that
this approach provides superior editing rates compared to existing CRISPR/Cas-based
methods in filamentous fungi, including the model plant pathogen Magnaporthe oryzae.
Genome sequencing of edited strains revealed very few additional mutations and no evidence for RNP-mediated off-targeting. The high performance of telomere vector-mediated
editing was demonstrated by random mutagenesis of codon 272 of the sdhB gene, a major
determinant of resistance to succinate dehydrogenase inhibitor (SDHI) fungicides by in bulk
replacement of the codon 272 with codons encoding all 20 amino acids. All exchanges were
found at similar frequencies in the absence of selection but SDHI selection allowed the identification of novel amino acid substitutions which conferred differential resistance levels
towards different SDHI fungicides. The increased efficiency and easy handling of RNPbased cotransformation is expected to accelerate molecular research in B. cinerea and
other fungi.
Coating of particles is a widely used technique in order to obtain the desired surface modification of the final product, e.g., specific color or taste. Especially in the pharmaceutical industry, rotor granulators are used to produce round, coated pellets. In this work, the coating process in a rotor granulator is investigated numerically using computational fluid dynamics (CFD) coupled with the discrete element method (DEM). The droplets are generated as a second particulate phase in DEM. A liquid bridge model is implemented in the DEM model to take the capillary and viscous forces during the wet contact of the particles into account. A coating model is developed, where the drying of the liquid layer on the particles, as well as the particle growth, is considered. The simulation results of the dry process compared to the simulations with liquid injection show an important influence of the liquid on the particle dynamics. The formation of liquid bridges and the viscous forces in the liquid layer lead to an increase of the average particle velocity and contact time. Changing the injection rate of water has an influence on the contact duration but no significant effect on the particle dynamics. In contrast, the aqueous binder solution has an important influence on the particle movement.
Nanoindentation simulations are performed for a Ni(111) bi-crystal, in which the grain boundary is coated by a graphene layer. We study both a weak and a strong interface, realized by a 30∘ and a 60∘ twist boundary, respectively, and compare our results for the composite also with those of an elemental Ni bi-crystal. We find hardening of the elemental Ni when a strong, i.e., low-energy, grain boundary is introduced, and softening for a weak grain boundary. For the strong grain boundary, the interface barrier strength felt by dislocations upon passing the interface is responsible for the hardening; for the weak grain boundary, confinement of the dislocations results in the weakening. For the Ni-graphene composite, we find in all cases a weakening influence that is caused by the graphene blocking the passage of dislocations and absorbing them. In addition, interface failure occurs when the indenter reaches the graphene, again weakening the composite structure.