Computer simulation of displacement cascades in nanocrystalline Ni
Computer simulation of displacement cascades in nanocrystalline Ni
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DOI：
10.1103/physrevlett.88.125505
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发表时间：
2002-03-25
影响因子：
8.6
通讯作者：
Victoria, M
中科院分区：
文献类型：
--
作者：
Samaras, M;Derlet, PM;Victoria, M
级联生产的主要损伤状态的大规模分子动力学进行fcc纳米晶Ni的平均晶粒直径为5和12 nm。模拟了5-30 keV的初级撞击原子动能。在热尖峰阶段，观察到显着的原子运动向周围的晶界结构，其特征在于许多的碰撞序列。在再凝固时，多余的体积凝聚以形成空位为主的缺陷，其中在较高能量下形成复杂的部分位错网络。
Large-scale molecular dynamics of cascade production of the primary damage state are performed in fcc nanocrystalline Ni of average grain diameters of 5 and 12 nm. Primary knock-on atom kinetic energies of 5-30 keV are simulated. During the thermal spike phase, significant atomic motion towards the surrounding grain boundary structure is observed, characterized by many replacement-collision sequences. Upon resolidification, the excess volume condenses to form vacancy dominated defects with a complex partial dislocation network forming at higher energies.