The Institute of Physical Metallurgy and Metal Physics includes a Simulation Group, headed by PD Dr. Volker Mohles. This group complements the institute's experimental research by a number of simulation models and computer programs, all of which have been developed in-house (except for FEM) for various purposes. Part of the models capture the physics of processes and mechanisms in metals in highest possible detail. Other programs combine the most essential physical models - in the current understanding - in order to make them applicable for engineering purposes.

The investigated physical phenomena include:

• Plasticity: work hardening, recovery, particle strengthening, solid solution strengthening
• Deformation texture development
• Inhomogeneous deformation for fibre reinforced materials
• Recrystallisation: nucleation and growth of recrystallisation nuclei
• Grain boundary motion and grain growth: various driving forces and mobilities
• Precipitation of secondary particles
• Bulk and pipe diffusion

The developed and utilized simulation models comprise:

• Cellular Automaton for recrystallisation nuclei growth
• Vertex models, 2-D and 3-D, for grain growth
• Molecular Dynamics for diffusion and grain boundary motion
• Molecular Statics and Dimer method for diffusion and precipitation
• Monte-Carlo simulations for diffusion, precipitation and grain boundary motion
• Dislocation Dynamics for particle and solid solution strengthening
• FC-Taylor and Grain Interaction Model for texture development
• Statistical models for plasticity, precipitation and texture development
• FEM for inhomogeneous deformation

The Simulation Group is currently involved in these funded projects:

• DFG (German Research Society) project T3 of the TFB 63: "Through-process simulation of the development of microstructure and properties of 1xxx-Aluminium alloys"
• DFG project A6 of the SFB 761 (steel ab-initio): "Atomic structure and properties of interfaces"
• DFG project B4 of the SFB 761 (steel ab-initio): "Heat treatment"
• NIMR (Netherlands Institute for Materials Research) project: "Simulation of the nucleation of secondary phases at dislocation sites"
• NIMR project: "Through-process modelling of AA6016 automotive sheet production"
• NIMR project: "Quantitative recrystallisation texture simulation in hot-rolled Al-alloys"
• ViViMat project by the Helmholtz Gemeinschaft: "Experimental investigations on and simulations of grain growth"
• WING project by the BMBF: "From nano-chemistry to macro properties: efficient simulation of recycling alloys"
• DAAD PhD stipend: "2-D and 3-D grain growth simulation"