Molecular dynamics simulation of the grain boundary sliding behaviour for Al Σ5 (2 1 0) AITranslate

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DOI：https://doi.org/10.1016/j.commatsci.2013.05.005

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Highlights • Grain boundary rotated during shear deformation regardless of force type. • The rotation tended to resist subsequent shear deformation. • It was caused by grain boundary migration and coupled motion. • Defects release was related to force type and temperature. In this study the grain boundary sliding (GBS) behaviour driven by a constant shear rate or shear force was investigated for the Al Σ5 (2 1 0) grain boundary at 500–750 K. It is found that regardless of the type of driving force, the bi-crystal system tended to resist the force applied by GB rotation which resulted from the surface strain, GB migration, or GB coupled motion. The GB generally rotated to the (1 0 0) plane of the left grain by 26.57° and in particular cases to the (0 1 0) plane of the right grain by 63.43°. Under a constant shear force the GBS only experienced a certain GB rotation and slid away when a threshold stress was reached. This threshold stress decreased with the increase of temperature, but under a constant shear rate, the GBS was strongly related to the temperatures. At 500 K, the GBS experienced a relatively complicated process involving GB migration, coupled motion, grain rotation, released defects and the beginning of cracks, while at 750 K, GB rotation dominated GBS behaviour.