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.
In chronological order (latest to oldest):
Thomas Cool, Alex Bartol, Kunal Modi, and Matthew Kasenga
R. Edwin García
Associate Professor of Materials Engineering
School of Materials Engineering
Neil Armstrong Hall of Engineering
701 West Stadium Avenue
West Lafayette, IN 47907-2045
phone: (765) 494-0148
National Science Foundation cooperative agreement EEC-6043750 (2008-2009).
Also partially supported by NSF DMR 0805022.
T. Cool,* A. Bartol,* M. Kasenga,* K. Modi, and R. E. García. "Gibbs: Symbolic Computation of Thermodynamic Properties and Phase Equilibria." CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry. (34) 393-404, 2010. DOI:10.1016/j.calphad.2010.07.005
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