Materials Science
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Created: 31 Dec 2013
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Thermodynamics
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- semiconductor device physics * photovoltaics * batteries * magnetic materials * photonics * bio materials * nanoelectronics * and more!
Gibbs— Symbolic Computation of Materials Thermodynamics
Python-based libraries for the calculation of phase diagrams and thermodynamic properties.
Gibbs is a general-purpose python-based Object Oriented set of libraries designed to simulate the multiphysical equilibrium of materials. The developed framework enables the rapid prototyping, validation, and comparison of thermodynamic models to describe the equilibrium between multiple phases for binary systems. The code has the capability of introducing contributions to the free energy that differ from chemical, such as elastic, magnetic, electric, surface tension, in order to describe complex material systems. Gibbs’ engine can be coupled to FiPy, a code designed to simulate the kinetics of materials.
Thermo-Calc
The academic version of Thermo-Calc is now available in nanoHUB. Visit the Thermo-Calc group to get more information and instructions for accessing this software in nanoHUB.