A novel molecular dynamics study on the 60° dislocation in silicon crystal
The core energy of a 60°shuffle set dislocation was investigated by an atomistic simulation method based on the Stillinger-Weber potential and periodic boundary condition. A relatively simple method was presented to generate a dislocation dipole. With the aid of a recently developed formulation Wei Cai, et al., Phil. Mag. A, 83, 539 (2003), a three dimensional (3D) calculation gave the core energy of 0.43 eV/A , which is smaller than that in a previous report A. S. Nandedkar, and J. Narayan, Phil. Mag. A, 61, 873 (1990). To investigate the dislocation motion, an integrated technique was used to avoid inaccurate measurement of the dislocation position when simulated at higher temperature. It is found that the curves of velocity versus temperature show a fluctuation mode especially at relatively high temperature. The velocity of the 60°dislocation decreases as temperature increases, which is consistent with die phonon drag model.
Qing-yuan Meng Cheng-xiang Li Gen Li
Depof Aeronautical Science and Mechanics, Harbin Instituteof Technology, Harbin 150001, China
国际会议
杭州
英文
12-19
2007-04-01（万方平台首次上网日期，不代表论文的发表时间）