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workshop

CALPHAD connection to first-principles and microstructure simulations

Suzana Fries, Ruhr-Universität Bochum, Bochum, Germany

Time & Place
  • 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

Abstract

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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