Hydrogen effects on the mechanical behaviour and deformation mechanisms of inclined twin boundaries

JQ Li and LQ Pei and C Lu and A Godbole and G Michal, INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 46, 16127-16140 (2021).

DOI: 10.1016/j.ijhydene.2021.02.020

It has been observed that coherent twin boundaries (CTBs) are resistant to hydrogen embrittlement (HE). However, little is known about the role of inclined twin boundaries in the H-related deformation and failure. Here we comprehensively investigate H segregation and its influence on the mechanical behaviour and deformation mechanisms of inclined Sigma 3 twin boundaries at inclination 0 degrees <=Phi <= 90 degrees using molecular dynamics simulations. Our results demonstrate that for Phi = 0 degrees CTB and Phi < 90 degrees symmetric incoherent twin boundary (SITB), the presence of H reduces the yield stress required for dislocation nucleation under uniaxial tension, while for inclined twin boundaries (0 degrees

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