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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 (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...