AppPottsRS: A ReadShockley Class for SPPARKS

Abstract

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.

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Document Details

Document Type
Technical Report
Publication Date
Sep 26, 2018
Accession Number
AD1061141

Entities

People

  • Efran Hernndez-rivera

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Algorithms
  • Boundaries
  • Computer Programs
  • Computer Simulations
  • Computers
  • Equations
  • Euler Angles
  • Grain Boundaries
  • Grain Growth
  • Grain Size
  • Kinetics
  • Magnetic Fields
  • Materials
  • Military Research
  • Personal Information Managers
  • Simulations
  • Simulators

Readers

  • Business Analytics
  • Computational Fluid Dynamics (CFD)