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Solute interactions with the pyramidal-II stacking fault
DFT-optimized structures of the pyramidal-II stacking fault with a solute in different atomic layers near the fault plane. The dataset include the VASP input files (except... -
Solute interactions with the (10-12) tension twin boundary
DFT-optimized structures of the (10-12) tension twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR) and... -
Solute interactions with the (10-11) compression twin boundary
DFT-optimized structures of the (10-11) compression twin boundary with a solute at different sites near the boundary. The dataset include the VASP input files (except POTCAR)... -
Solute size misfits
DFT-computed size misfits for 64 solute species in hcp Mg. The dataset includes the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR, a script to compute the... -
Solute interactions with the <c+a> edge dislocation
Core structures of the edge dislocation with an Al, Ca, Mn, or Sn solute at different sites in the core. The dataset include the VASP input files (except POTCAR) and output... -
Solute interactions with the <c+a> screw dislocation
No solute-dislocation interaction calculations were performed. -
Solute interactions with the (10-11) twinning edge dislocation
DFT-optimized core structures of the (10-11) twinning edge dislocation with an Al or Ca solute at different sites in the core. The dataset include the VASP input files (except... -
Input for Material Card 233+
This file is the inout deck for Material Card 233+ that is calibrated for Batch 1 at 200oC and 0.1s-1. -
Simulations of various strain paths with crystal plasticity for Batch_ONE
Crystal plasticity simulations (for Batch_ONE at 200oC) of: - Balanced biaxial tension - Uniaxial compression along RD - Plane strain tension along RD and TD - Simple shear... -
Simulations of various strain paths with crystal plasticity for Batch_THREE
Crystal plasticity simulations (for Batch_THREE at 200oC) of: - Balanced biaxial tension - Uniaxial compression along RD - Plane strain tension along RD - Simple shear along RD... -
MAT233 for Batch_ONE
MAT233 material cards calibrated for Batch_ONE material at 150oC, 200oC and 250oC for 0.1s-1 and 0.5 s-1 strain rates. Mesh regularization performed for 6mm, 3mm and 1.5mm mesh... -
MAT233 for Batch_THREE
MAT233 material cards calibrated for Batch_THREE material at 200oC and 0.1s-1. Mesh regularization is performed for 6mm, 4mm and 2mm mesh sizes.