5 years ago

Metastable state in a tensile-strained $\mathrm{Cu}\phantom{\rule{0.16em}{0ex}}\mathrm{Σ}5$ grain boundary: A first-principles study

Metastable state in a tensile-strained $\mathrm{Cu}\phantom{\rule{0.16em}{0ex}}\mathrm{Σ}5$ grain boundary: A first-principles study
Yong-Li Liu, Fan-Shun Meng, Yang Qi, Xing Zhao, Jiu-Hui Li, Hui Zhang
The $\mathrm{Cu}\phantom{\rule{0.16em}{0ex}}\mathrm{Σ}5$ grain boundary (GB) fracture process has been simulated by the first-principles computational tensile test. An additional metastable state has been discovered during tensile tests. The energy of ideal mirror-symmetric GBs continuously changes ...

Publisher URL: http://link.aps.org/doi/10.1103/PhysRevB.97.054101

DOI: 10.1103/PhysRevB.97.054101

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