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ELAS3D-Xtal: An OpenMP-accelerated crystal elasticity solver with automated experiment-driven microstructure generation
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DOI：10.1016/j.commatsci.2026.114734.png)
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Abstract
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• Large-scale voxel-based crystal elasticity FEM on a single shared-memory workstation. • OpenMP-accelerated PCG with point-block Jacobi preconditioning. • Microstructure pipeline: texture, porosity, mixed equiaxed/columnar grains. • Validated with 3D Eshelby inclusion benchmark and mesh convergence studies. • Stress localization studies for Zener anisotropy ratio and LPBF SS316L defect types.
Keywords:
Microstructure generation
OpenMP parallelization
Crystal elasticity
Additive manufacturing
Defect mechanics
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