Temperature dependence of the structure and shear response of a Σ11 asymmetric tilt grain boundary in copper from molecular-dynamics

摘要: We investigate the effect of temperature on structure and shear response a Σ11 asymmetric tilt grain boundary in classical embedded-atom model elemental copper using molecular dynamics simulations. As is increased disorders considerably, but with width that remains finite at melting point. The disordering becomes significant for homologous temperatures above 0.83 (1100 K). increases this point roughness monotonically. Near where starts to disorder we observe change dependence ideal strength boundary, as well value coupling parameter β, defined ratio velocity relative translation grains parallel plane corresponding motion normal its plane.