Electron density data for mixed, edge, and binary-junction dislocation cores in bcc iron

Published: 30 June 2026| Version 1 | DOI: 10.17632/gfnvgwr56g.1
Contributor:
Masatake Yamaguchi

Description

This dataset includes CHGCAR files calculated by VASP code for a0/2<111>{110} 71 degree mixed, a0/2<111>{112} edge, a0<100>{011} and a0<100>{010} binary-junction dislocation cores. Readers can visualize data using VESTA or OVITO software.

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Categories

Computational Materials Science, Iron, Dislocation, Hydrogen

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