作者
N Bertin, W Cai, S Aubry, VV Bulatov
发表日期
2021/2/24
期刊
Physical Review Materials
卷号
5
期号
2
页码范围
025002
出版商
American Physical Society
简介
Accurate methods and an efficient workflow for computing and documenting dislocation core energies are developed and applied to 1 2〈 111〉 and〈 100〉 dislocations in five body-centered cubic (bcc) metals W, Ta, V, Mo, and α-Fe represented by 13 model interatomic potentials. For each dislocation type, dislocation core energies are extracted for a large number of dislocation characters thoroughly sampling the entire 2-space of crystallographic line orientations of the bcc lattice. Of particular interest, core energies of the 1 2〈 111〉{110} dislocations are found to be distinctly asymmetric with respect to the sign of the character angle, whereas core energies of〈 100〉{110} junction dislocations exhibit marked cusps for line orientations vicinal to the closed-packed〈 111〉 directions. Our findings furnish substantial insights for developing accurate models of dislocation core energies employed in mesoscale …
引用总数
20212022202320242472
学术搜索中的文章
N Bertin, W Cai, S Aubry, VV Bulatov - Physical Review Materials, 2021