Critical parameters in controlling dislocation nucleation at twisted semicoherent interfaces

Y Zhang and XF Kong and BN Yao and ZR Liu and D Legut and RF Zhang, COMPUTATIONAL MATERIALS SCIENCE, 258, 114120 (2025).

DOI: 10.1016/j.commatsci.2025.114120

Hetero-phase interfaces typically accommodate misfit dislocations, which dominate the interface-facilitated plasticity. Despite advancements in understanding such plasticity, the complexity of interface degrees of freedom has overshadowed the exploration of related dependent parameters. In this study, we present a novel investigation to systematically analyze critical parameters influencing dislocation nucleation at semicoherent interfaces by twisting one phase against the other. Our results reveal variations in critical nucleation stress with node distance, line-orientation misalignment, and spiral features around the nodes. To quantify these correlations semi-quantitatively, we propose Orowan and misalignment descriptors that incorporate the effect of node distance and the combined influence of line-orientation misalignment and spiral features around the nodes. These descriptors determine transitions from Friedel-Escaig-like to partially aligned, fully aligned, and misaligned Fleischer-like cross-slip mechanisms. These findings establish a clear structure-property relationship at hetero-phase interfaces and enable high-performance alloy design through interface engineering.

Return to Publications page