Molecular dynamics simulation on burst and arrest of stacking faults in nanocrys

2020-01-13 19:44:46

The Cu grain deformation potential

责任者: Xin-Ling Ma;Wei Yang 单位: Dept. of Eng. Mech., Tsinghua Univ., Beijing, China 来源出处: Nanotechnology(Nanotechnology (UK)),2003/11/,14(11):1208-15 摘要: Nanoindentation induces versatile deformation mechanisms. The situation is examined here for the case of nanocrystalline Cu by means of parallel molecular dynamics simulations. The indenter is applied to the grain boundary (GB) or to the grain interior. The inter-atomic interaction of Cu is modelled by both the Lennard-Jones potential and the embedded atom method potential. The burst and arrest of stacking faults hold the key for the plastic deformation of nanocrystalline Cu under nanoindentation, in clear contrast to the case of nanoindentation on single-crystal Cu. The following descending order of indentation resistance is found: single crystal (or polycrystal of large grain size), nanocrystal when indented on the grain interior, and nanocrystal indented on the GB 关键词: copper;indentation;Lennard-Jones potential;molecular dynamics method;nanostructured materials;plastic deformation;stacking faults;parallel molecular dynamics simulations;stacking fault bursts;stacking fault arrest;nanocrystalline Cu;nanoindentation;deformation mechanisms;grain boundary;grain interior;inter-atomic interaction;Lennard-Jones potential;embedded atom method potential;plastic deformation;single-crystal Cu;indentation resistance;Cu