Shuffling pathway of anti-twinning in body-centered-cubic metals

HX Xie and GB Wei and JP Du and A Ishii and GH Lu and PJ Yu and S Ogata, SCRIPTA MATERIALIA, 222, 114999 (2023).

DOI: 10.1016/j.scriptamat.2022.114999

In this study, anti-twinning and deformation twinning of body-centered- cubic (BCC) metals under shear loading in the anti-twin direction were examined. Molecular dynamics simulations of BCC Ta showed both the existence of anti-twinning and a novel two-layer-by-two-layer anti- twinning mechanism consisting of a staggered shuffle sliding of 112 atomic planes in the 111 and 111 directions, generating finite shear displacement along the anti-twin direction. The density functional theory multi-dimensional interlayer slipping energy landscape of the newly observed anti-twinning process has a lower energy barrier for both twin nucleation and growth than the recently proposed layer-by-layer anti-twinning process.

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