ICAMS / Interdisciplinary Centre for Advanced Materials Simulation
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Thermodynamic quantities useful for microstructures

Date: 22.07.2014
Time: 9:00 a.m.
Place: Pan American Materials Conference 2014, São Paulo, Brazil

Suzana Fries

Microstructure simulations usually require several input parameters. Some of them can be provide by thermodynamics, like phase stability, element partition, driving forces, solid fractions, volumes, thermal expansion, etc.Traditionally these data could be obtained from different databases but not always they are consistent. Databases made using the CALPHAD methodology can provide this consistency and very recently, it is also possible to incorporate quantities like strain energies, lattice parameters, bulk modulus. This is made not only with experimental informations but also with the help of first-principles calculations at zero and finite temperatures. In this lecture some examples will be give about how to extract and use these data in proprietary and/or academic microstructure simulations codes.

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