ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Thermodynamic and kinetic simulation of microstructure evolution

Date: 16.09.2014
Place: OPTIMoM Conference, University of Oxford, UK

Ingo Steinbach

Properties of materials depend critically on their microstructure, the tailoring of which is the key factor for advanced production processes. In the last years the phase-field method has emerged as the method of choice to simulate microstructure evolution in materials. Applications range from solidification and solid state transformation to sintering and even growth of biological cells. The presentation will shortly introduce the method on the basis of general thermodynamic laws. Bulk thermodynamics is incorporated using the CALPHAD approach. Convective transport and liquid-gas transitions are treated in the framework of the lattice Boltzmann method. Atomistic calculations provide important model parameter like interfacial energies and mobilities. Boundary conditions of the simulations are chosen to represent the conditions of the production process. Properties are derived by homogenization procedures or using heuristic arguments. Examples will be presented from casting, heat treatment and coating.

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