含氧纳米多晶 α-Ti拉伸力学性能与变形机制的分子动力学模拟

任军强, 邵珊, 王启, 卢学峰, 薛红涛, 汤富领

Molecular Dynamics Simulation of Tensile Mechanical Properties and Deformation Mechanism of Oxygen-Containing Nano-Polycrystalline α-Ti

REN Junqiang, SHAO Shan, WANG Qi, LU Xuefeng, XUE Hongtao, TANG Fuling

图3 多晶Ti-0.1O拉伸后位错缠结引起的加工硬化

Fig.3 Work hardening caused by dislocation tangle after tensile of polycrystalline Ti-0.1O (The red atom represents the hcp structure, the green atom the fcc structure, the blue atom the bcc structure, and the white atom the grain boundary atom and the disordered atom being not able to be recognized by OVITO, which are represented by OTHER. Same as in Figs.6-9 and 12) (a, c) atomic diagrams at strains ε = 0 (a) and 0.064 (c), respectively (b) diagram with only fcc atoms and dislocation lines at ε = 0.062 (d) dislocation tangle diagram with only fcc atoms and dislocation lines at ε = 0.064