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Molecular dynamics simulation of cylindrically converging shock response in single crystal Cu
Computational Materials Science ( IF 3.1 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.commatsci.2020.109845
Fang Tang , Zhiyong Jian , Shifang Xiao , Xiaofan Li , Liang Wang , Bowen Huang , Huiqiu Deng , Wangyu Hu

Abstract There are tremendous experimental and simulation studies with regard to the shock response of copper, however, it is believed that the published literatures are seldom focused on response behavior of copper under nonplanar shock loading. Combined with the interaction between a potential wall and atoms, molecular dynamics simulation is performed to investigate the shock response of single crystal Cu under cylindrically converging impact, with the axis of a cylindrical potential wall along the [0 0 1] crystallographic orientation. The results show that affected by anisotropy of wave speed, the surface shape of elastic wavefront is transformed into a quadrangular columnar form from the initial cylindrical one. With the same shock velocity, due to the converging effect, the temperature rise under cylindrical impact is higher than that under planar impact, and the temperature distribution is very complex during shock. The sites for dislocation nucleation are dependent on shock velocity. At the shock velocity of 0.4 km/s, the nucleation and activity of Shockley partial dislocation loops occur in the hot spot regions adjacent to shock front along [1 0 0] and [0 1 0] directions. As shock velocity increases to 0.55 km/s, the shock plasticity starts from the free surface along [1 1 0] and [1–10] directions.

中文翻译:

单晶铜圆柱收敛冲击响应的分子动力学模拟

摘要 关于铜的冲击响应有大量的实验和模拟研究,但相信已发表的文献很少关注非平面冲击载荷下铜的响应行为。结合势壁与原子之间的相互作用,进行分子动力学模拟以研究单晶Cu在圆柱形会聚冲击下的冲击响应,圆柱形势壁的轴沿[0 0 1]晶向。结果表明,受波速各向异性的影响,弹性波前的表面形状由最初的柱状转变为四边形柱状。在相同的冲击速度下,由于收敛效应,圆柱冲击下的温升高于平面冲击下的温升,冲击时温度分布非常复杂。位错成核的位置取决于冲击速度。当激波速度为 0.4 km/s 时,Shockley 部分位错环的成核和活动发生在激波前沿附近沿 [1 0 0] 和 [0 1 0] 方向的热点区域。随着冲击速度增加到 0.55 km/s,冲击塑性沿 [1 1 0] 和 [1-10] 方向从自由表面开始。Shockley 部分位错环的成核和活动发生在沿 [1 0 0] 和 [0 1 0] 方向与激波前沿相邻的热点区域。随着冲击速度增加到 0.55 km/s,冲击塑性沿 [1 1 0] 和 [1-10] 方向从自由表面开始。Shockley 部分位错环的成核和活动发生在沿 [1 0 0] 和 [0 1 0] 方向与激波前沿相邻的热点区域。随着冲击速度增加到 0.55 km/s,冲击塑性沿 [1 1 0] 和 [1-10] 方向从自由表面开始。
更新日期:2020-10-01
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