Modeling microstructure evolution in three dimensions with Grain3D and LaGriT

Andrew Kuprat, Denise George, Galen Straub, Melik C. Demirel

Research output: Contribution to journalConference articlepeer-review

26 Scopus citations


This paper will describe modeling microstructure evolution using a combination of our gradient-weighted moving finite elements code, Grain3D and our 3-D unstructured grid generation and optimization code, LaGriT. Grain boundaries evolve by mean curvature motion, and Grain3D allows for the incorporation of grain boundary orientation dependence modeled as anisotropic mobility and energy. We also describe the process of generating an initial computational grid from images obtained from electron backscatter diffraction. We present the grid optimization operations developed to respond to changes in the physical topology such as the collapse of grains and to maintain uniform computational grid quality. For 3-D columnar microstructures, validation of the method is demonstrated by comparison with experiments. For large systems of fully 3-D microstructures, simulations compare favorably to the parabolic law of normal grain growth.

Original languageEnglish (US)
Pages (from-to)199-208
Number of pages10
JournalComputational Materials Science
Issue number2
StatePublished - Oct 2003
EventProceedings of the Symposium on Software Development for Proce - Moscow, Russian Federation
Duration: Sep 15 2002Sep 16 2002

All Science Journal Classification (ASJC) codes

  • Computer Science(all)
  • Chemistry(all)
  • Materials Science(all)
  • Mechanics of Materials
  • Physics and Astronomy(all)
  • Computational Mathematics


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