A general purpose open source, Python-based framework, Gibbs, was developed to perform multiphysical equilibrium and kinetic calculations of material properties. The developed architecture allows to prototype symbolic and numerical representations of materials by starting from analytic models, tabulated experimental data, or Thermo-Calc data files. These constructions are based on the addition of arbitrary energy contributions that range from the traditional thermochemical to mechanical and surface tension. Gibbs seamlessly interfaces with FiPy to prototype interdiffusion and microstructural evolution (phase field) models. Through its flexible Graphical User Interface, Gibbs allows rapid deployment of computational thermodynamic applications with intuitive user interfaces, and through the developed viewers, direct visualization and analysis of data can be readily performed for those physical properties that are relevant for the problem at hand. Example applications to chemically homogeneous ferroelectrics and two component (binary) solids are presented.
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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…
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