Microstructure Simulation and Virtual Material Design

The work within the group of microstructure simulation and virtual material design can be summarized by the overall concept of GeoDict we are developing and marketing software for the optimization of complex three-dimensional geometric structures of porous materials and composites.

Very different material properties are computed in complex 3D structures and successively improved by parameter variation. Currently, the technology is especially applied within projects with respect to the design of components of fuel cells, paper machines, and most different kinds of filters..

Computer Simulation and Virtual Material Design

Properties of existing materials can be described by theories, measured by experiments or characterized by simulations on computer tomographical 3d images (CTs). For new materials, the applicability of theories is sometimes questionable and the development through experiments on prototypes is laborious and expensive. Therefore, there is a great interest in developing new materials by means of computer simulations. For this virtual material design a realistic structure model is required, where the variations one wants to investigate, are described only by a few parameters. These models can be converted to virtual CTs (vCTs).

Simulation of Non-Newtonian Multi-Phase Flows

By FLUID, simulations of non-Newtonian fluids, e.g. In microstructures, which are complex, three-dimensional geometric structures of porous materials. The structures simulated by us can be used directly from computer tomographs or generated with the software GeoDict®.

Such simulations help to understand and identify the relations between the fluid velocity, pressure, viscosity and permeability of the medium. The effective permeability law can be used in macrocale simulations in which the porous structure is only a subset of an overall geometry configuration.

Microstructure Simulation of Non-Newtonian Multiphase Flows
© Fraunhofer ITWM
Microstructure Simulation of Non-Newtonian Multiphase Flows

Simulation Example: Infiltration Process of a Non-Newtonian Fluid into a Microscale-Resolved Rock Structure

Spatially resolved information on the Porenskala about:

  • pressure
  • velocity
  • temperature
  • Spread of the flow front
  • Effective permeability tensor



Ammonia as a »Green Hydrogen« Storage

As part of the »AMMONPAKTOR« project, we are researching the possibilities of using ammonia as a »green hydrogen storage« together with the Fraunhofer IMM.


MaTBiZ: Simulating Biological Cell Separation

In the project »MaTBiZ«, we simulate biological cell separation processes in order to optimise filter media, which are manufactured additively.


ResKin – Simulation of Processes in Reservoir Rock

The prediction of chemical reactions and their kinetics in reservoir rocks is the focus of the project. We support the simulation of these processes with our software tools.


Programmable Materials

In various projects in the field »Programmable Materials«, we are researching on how we can give materials new functionalities.


Microstructure-Based Calculation Method for Core Sand

In the project µ-Kern we are developing micromechanical simulation models for core sand.


Cellulosic Materials

It was the aim of this project to determine numerically the effective transport properties of a cellulosic layer.


Residual Stresses in Aluminum - Silicon Cast Alloys

In the project Al-Si casting alloys are examined, for example, for use in cylinder heads and crankcases.


Adaptive Approximation Methods for Multiscale Simulation of Composites


Simulation of Fibreboards

Together with our project partners, we develop the basic principles for the production and the strength calculation of light MDF boards.


Volume change and phase separation in electrode materials

In the AiF project ALIB the existing electrochemical simulation models of BEST were expanded.


Micromechanical Simulation of the Resilience of Nonwovens

In the project, micromechanical simulation models are used for the time-dependent behavior of nonwovens.


Simulation Supported Design of Fuel Cells

The aim of the research group OPTIGAA is to enable the computer-assisted design of fuel cells.


Optimization of Thermal Insulation Materials

Thermal insulation materials are highly porous fiber or foam structures. The focus of our research and development is on multi-scale modeling and simulation.


Virtual Structure Generation for Papers and Cartons

We developed PaperGeo, which enables microstructure models of paper to be generated.


CustoMat 3D

The aim of the project »CustoMat 3D« is to use simulation-aided development and qualification to create custom-made aluminum alloy materials for use in laser additive manufacturing for the automobile industry.

Software Products


More information about GeoDict Software  for the optimization of complex three-dimensional geometric structures of porous materials and composites


FeelMath is a fast and easy to use analysis tool for micro-structures given by 3D images (tomography) or virtual material structures (i.e. GeoDict).


PoreChem is a sophisticated software package, which simulates the three-dimensional flow, transport and reactions of chemically reactive solutes in resolved porous media.

BEST - Battery and Electrochemistry Simulation Tool

BEST is a software environment for physics-based, three-dimensional simulation of lithium-ion batteries.