## Fraunhofer (ITWM)

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- A Graph-Laplacian approach for calculating the effective thermal conductivity of complicated fiber geometries (2008)
- Abstract. An efficient approach to the numerical upscaling of thermal conductivities of fibrous media, e.g. insulation materials, is considered. First, standard cell problems for a second order elliptic equation are formulated for a proper piece of random fibrous structure, following homogenization theory. Next, a graph formed by the fibers is considered, and a second order elliptic equation with suitable boundary conditions is solved on this graph only. Replacing the boundary value problem for the full cell with an auxiliary problem with special boundary conditions on a connected subdomain of highly conductive material is justified in a previous work of the authors. A discretization on the graph is presented here, and error estimates are provided. The efficient implementation of the algorithm is discussed. A number of numerical experiments is presented in order to illustrate the performance of the proposed method.

- A one-dimensional model of the pressing section of a paper machine including dynamic capillary effects (2011)
- This work presents the dynamic capillary pressure model (Hassanizadeh, Gray, 1990, 1993a) adapted for the needs of paper manufacturing process simulations. The dynamic capillary pressure-saturation relation is included in a one-dimensional simulation model for the pressing section of a paper machine. The one-dimensional model is derived from a two-dimensional model by averaging with respect to the vertical direction. Then, the model is discretized by the finite volume method and solved by Newton’s method. The numerical experiments are carried out for parameters typical for the paper layer. The dynamic capillary pressure-saturation relation shows significant influence on the distribution of water pressure. The behaviour of the solution agrees with laboratory experiments (Beck, 1983).

- An analysis of one regularization approach for solution of pure Neumann problem (2008)
- In this paper, the analysis of one approach for the regularization of pure Neumann problems for second order elliptical equations, e.g., Poisson’s equation and linear elasticity equations, is presented. The main topic under consideration is the behavior of the condition number of the regularized problem. A general framework for the analysis is presented. This allows to determine a form of regularization term which leads to the “natural” asymptotic of the condition number of the regularized problem with respect to mesh parameter. Some numerical results, which support theoretical analysis are presented as well. The main motivation for the presented research is to develop theoretical background for an efficient and robust implementation of the solver for pure Neumann problems for the linear elasticity equations. Such solvers usually are needed in a number of domain decomposition methods, e.g. FETI. Developed approaches are planed to be used in software, developing in ITWM, e.g. KneeMech simulation software.

- An efficient approach for upscaling properties of composite materials with high contrast of coefficients (2007)
- An efficient approach for calculating the effective heat conductivity for a class of industrial composite materials, such as metal foams, fibrous glass materials, and the like, is discussed. These materials, used in insulation or in advanced heat exchangers, are characterized by a low volume fraction of the highly conductive material (glass or metal) having a complex, network-like structure and by a large volume fraction of the insulator (air). We assume that the composite materials have constant macroscopic thermal conductivity tensors, which in principle can be obtained by standard up-scaling techniques, that use the concept of representative elementary volumes (REV), i.e. the effective heat conductivities of composite media can be computed by post-processing the solutions of some special cell problems for REVs. We propose, theoretically justify, and numerically study an efficient approach for calculating the effective conductivity for media for which the ratio of low and high conductivities satisfies 1. In this case one essentially only needs to solve the heat equation in the region occupied by the highly conductive media. For a class of problems we show, that under certain conditions on the microscale geometry, the proposed approach produces an upscaled conductivity that is O() close to the exact upscaled permeability. A number of numerical experiments are presented in order to illustrate the accuracy and the limitations of the proposed method. Applicability of the presented approach to upscaling other similar problems, e.g. flow in fractured porous media, is also discussed.

- Design of pleated filters by computer simulations (2009)
- Four aspects are important in the design of hydraulic lters. We distinguish between two cost factors and two performance factors. Regarding performance, filter eciencynd lter capacity are of interest. Regarding cost, there are production considerations such as spatial restrictions, material cost and the cost of manufacturing the lter. The second type of cost is the operation cost, namely the pressure drop. Albeit simulations should and will ultimately deal with all 4 aspects, for the moment our work is focused on cost. The PleatGeo Module generates three-dimensional computer models of a single pleat of a hydraulic lter interactively. PleatDict computes the pressure drop that will result for the particular design by direct numerical simulation. The evaluation of a new pleat design takes only a few hours on a standard PC compared to days or weeks used for manufacturing and testing a new prototype of a hydraulic lter. The design parameters are the shape of the pleat, the permeabilities of one or several layers of lter media and the geometry of a supporting netting structure that is used to keep the out ow area open. Besides the underlying structure generation and CFD technology, we present some trends regarding the dependence of pressure drop on design parameters that can serve as guide lines for the design of hydraulic lters. Compared to earlier two-dimensional models, the three-dimensional models can include a support structure.

- Finite volume discretization of equations describing nonlinear diffusion in Li-Ion batteries (2010)
- Numerical modeling of electrochemical process in Li-Ion battery is an emerging topic of great practical interest. In this work we present a Finite Volume discretization of electrochemical diffusive processes occurring during the operation of Li-Ion batteries. The system of equations is a nonlinear, time-dependent diffusive system, coupling the Li concentration and the electric potential. The system is formulated at length-scale at which two different types of domains are distinguished, one for the electrolyte and one for the active solid particles in the electrode. The domains can be of highly irregular shape, with electrolyte occupying the pore space of a porous electrode. The material parameters in each domain differ by several orders of magnitude and can be non-linear functions of Li ions concentration and/or the electrical potential. Moreover, special interface conditions are imposed at the boundary separating the electrolyte from the active solid particles. The field variables are discontinuous across such an interface and the coupling is highly non- linear, rendering direct iteration methods ineffective for such problems. We formulate a Newton iteration for an purely implicit Finite Volume discretization of the coupled system. A series of numerical examples are presented for different type of electrolyte/electrode configurations and material parameters. The convergence of the Newton method is characterized both as function of nonlinear material parameters as well as the nonlinearity in the interface conditions.

- Fluid structure interaction problems in deformable porous media: Toward permeability of deformable porous media (2004)
- In this work the problem of fluid flow in deformable porous media is studied. First, the stationary fluid-structure interaction (FSI) problem is formulated in terms of incompressible Newtonian fluid and a linearized elastic solid. The flow is assumed to be characterized by very low Reynolds number and is described by the Stokes equations. The strains in the solid are small allowing for the solid to be described by the Lame equations, but no restrictions are applied on the magnitude of the displacements leading to strongly coupled, nonlinear fluid-structure problem. The FSI problem is then solved numerically by an iterative procedure which solves sequentially fluid and solid subproblems. Each of the two subproblems is discretized by finite elements and the fluid-structure coupling is reduced to an interface boundary condition. Several numerical examples are presented and the results from the numerical computations are used to perform permeability computations for different geometries.

- Modeling of species and charge transport in Li-Ion Batteries based on non-equilibrium thermodynamics (2010)
- In order to improve the design of Li ion batteries the complex interplay of various physical phenomena in the active particles of the electrodes and in the electrolyte has to be balanced. The separate transport phenomena in the electrolyte and in the active particle as well as their coupling due to the electrochemical reactions at the interfaces between the electrode particles and the electrolyte will inuence the performance and the lifetime of a battery. Any modeling of the complex phenomena during the usage of a battery has therefore to be based on sound physical and chemical principles in order to allow for reliable predictions for the response of the battery to changing load conditions. We will present a modeling approach for the transport processes in the electrolyte and the electrodesbased on non-equilibrium thermodynamics and transport theory. The assumption of local charge neutrality, which is known to be valid in concentrated electrolytes, is explicitly used to identify the independent thermodynamic variables and uxes. The theory guarantees strictly positive entropy production. Dierences to other theories will be discussed.

- Multigrid – adaptive local refinement solver for incompressible flows (2003)
- A non-linear multigrid solver for incompressible Navier-Stokes equations, exploiting finite volume discretization of the equations, is extended by adaptive local refinement. The multigrid is the outer iterative cycle, while the SIMPLE algorithm is used as a smoothing procedure. Error indicators are used to define the refinement subdomain. A special implementation approach is used, which allows to perform unstructured local refinement in conjunction with the finite volume discretization. The multigrid - adaptive local refinement algorithm is tested on 2D Poisson equation and further is applied to a lid-driven flows in a cavity (2D and 3D case), comparing the results with bench-mark data. The software design principles of the solver are also discussed.