ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Deformation Mechanisms and Phase Transformations

Group Coordinators

Dr. Anxin Ma
Dr. Oleg Shchyglo
Jun.-Prof. Dr. Victoria Yardley

In modern steels and engineering materials multiple phases often coexist. The mechanical properties strongly depend on the volume fractions and size distribution of the coexisting phases. The modelling of the mechanical behaviour of these heterogeneous materials requires: generating realistic representative volume elements (RVEs) which reflect the typical microstructures; solving force equilibrium, damage evolution and micro-crack initialization, phase transformation, grain boundary motion at the same time; determining the model parameters by lower length scale simulations and well-designed experiments; and validation of model predictions via experiment.


Representative volume element and its application for TRIP steel.


The project group integrates expertise from the different ICAMS departments and the ASG “Input Data and Validation” in order to develop a simulation platform for industrial and academic research. The direct application of the simulation platform will be metal forming process modelling and heat treatment modelling to reduce durations and costs of material development..

Simulation platforms development

OpenPhase software development
(O. Shchyglo, I. Steinbach)

Efficient numerical approach for multiphysical system evolutions
(A. Ma)

Mechanism study project

Phase transformation by molecular dynamics
(C. Begau)


  • Crystal plasticity finite element methods
  • Phase field methods
  • Lattice Boltzmann methods

These methods are coupled in order to bridge time and length scales in the simulation of mechanical properties.



This project group is tightly
connected with other project groups including
Defects and elementary processes and
Thermodynamics and phase stability

through modelling parameters determination and modelling results

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