Simulation of the behavior of a Sigma 5 grain boundary under combined thermal and external shear loading

AI Dmitriev and AY Nikonov, TECHNICAL PHYSICS LETTERS, 39, 709-712 (2013).

DOI: 10.1134/S1063785013080038

The behavior of the grain boundary of a copper bicrystal under shear loading is studied by molecular dynamics simulation. The subject of the research is a high-angle boundary of the I pound = 5(210)001 special type. The effect of the temperature of the sample on the characteristics of the behavior of the grain boundary under shear deformation is analyzed. It is shown that, in the sample heated above a certain temperature, the previously found mechanism of grain-boundary sliding in fcc crystals, which is accompanied by a simultaneous motion of the boundary in the direction perpendicular to the applied load, gives way to the conventional mechanism of grain-boundary sliding associated with the displacement of the grains relative to each other along the plane of the defect. The features of the change in the structure of the grain boundary upon a change in its response to shear deformation with increasing temperature are studied.

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