金属Nb级联碰撞的分子动力学模拟
马小强1,2,杨坤杰3,徐喻琼1,2(
),杜晓超1,2,周建军1,2,肖仁政1,2
),杜晓超1,2,周建军1,2,肖仁政1,2
Molecular Dynamics Simulation of DisplacementCascades in Nb
MA Xiaoqiang1,2,YANG Kunjie3,XU Yuqiong1,2(),DU Xiaochao1,2,ZHOU Jianjun1,2,XIAO Renzheng1,2
),DU Xiaochao1,2,ZHOU Jianjun1,2,XIAO Renzheng1,2
图 2. 能量30 keV、沿方向[235]运动的PKA级联碰撞过程产生的缺陷随时间演化过程可视化截图
Fig.2. Visual screenshots of defect evolution induced by 30 keV PKA moving in [235] direction during displacement cascades (The blue, yellow and red atoms represent vacancy, single interstitial atom and double interstitial atom, respectively)(a) t=0.051 ps (b) t=0.11 ps (c) t=0.38 ps (d) t=1.49 ps(e) t=5.09 ps (f) t=10.09 ps (g) t=15.09 ps (h) t=25.00 ps
