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AppPottsRS: A ReadShockley Class for SPPARKS

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Technical Report,01 Jan 2017,31 Jan 2018

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US Army Research Laboratory Aberdeen Proving Ground United States

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The Stochastic Parallel PARticle Kinetic Simulator SPPARKS framework has enabled large-scale simulation of microstructural evolution as simulated by the Potts Monte Carlo model. In order to more accurately model microstructural evolution, the AppPottsRS code was developed as an extension to the SPPARKS Potts model AppPotts. The AppPottsRS class uses a more robust microstructural description based on EulerBunge angles and relies on the ReadShockley equation to characterize interfacial energies. This technical note briefly describes the AppPottsRS class, which is used to model grain growth under the SPPARKS framework. This includes a detailed description of an example input file used to simulate grain growth of a hexagonal material. Based on ongoing efforts, the code was adapted to couple texture interactions to magnetic fields. A short example is provided where magnetic-field-enhanced grain growth is shown. Lastly, the C source code isincluded as an appendix.

Subject Categories:

  • Physical Chemistry
  • Atomic and Molecular Physics and Spectroscopy
  • Operations Research
  • Cybernetics

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