ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


CALPHAD connection to first-principles and microstructure simulations

Date: 27.05.2011
Time: 4:00 p.m.
Place: XL CALPHAD Workshop "From First Principles to Multi-Scale Modeling of Materials", Rio de Janeiro, Brazil

Suzana Fries

An overview about possible ways of incorporating first-principles calculated quantities in the CALPHAD framework is done. The possibilities about how to export CALPHAD calculated quantities to other applications as phase-field microstructure simulations is illustrated.

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