纳米多晶铜中冲击波阵面的分子动力学研究

冲击波阵面反映材料在冲击压缩下的弹塑性变形行为以及屈服强度、应变率条件等宏观量, 还与冲击压缩后的强度变化联系. 本文使用分子动力学方法, 模拟研究了冲击压缩下纳米多晶铜中的动态塑性变形过程, 考察了冲击波阵面和弹塑性机理对晶界存在的依赖, 并与纳米多晶铝的冲击压缩进行了比较. 研究发现: 相比晶界对纳米多晶铝的贡献而言, 纳米多晶铜中晶界对冲击波阵面宽度的影响较小; 并且其塑性变形机理主要以不全位错的发射和传播为主, 很少观察到全位错和形变孪晶的出现. 模拟还发现纳米多晶铜的冲击波阵面宽度随着冲击应力的增加而减小, 并得到了冲击波阵面宽度与冲击应力之间的定量反比关系, 该定量关系与他人纳米多晶铜模拟结果相近, 而与粗晶铜的冲击压缩实验结果相差较大.

Molecular dynamics investigation of shock front in nanocrystalline copper

The elasto-plastic deformation behavior, yield strength and strain rate of material under shock compression can be represented by shock front, and the shock front is also related to the variation of strength after shock compression. In this paper, we study the dynamic plastic deformation processe of nanocrystalline copper under shock compression through molecular dynamics simulations. We also explore the dependences of the shock front and the mechanism of elasto-plastic deformation on grain boundary, and make a comparison with the case of the shock response of nanocrystalline aluminum. This investigation shows that the contribution of grain boundary to the shock-front width of nanocrystalline copper are smaller than that of nanocrystalline aluminum. The plastic mechanism of nanocrystalline copper is dominated by the emission and propagation of partial dislocations, and the full dislocation and deformation twin are rarely found in the samples. From the simulations are also found that the shock-front width decreases with the increase of loaded shock stress. A quantitative inverse relationship between the shock wave front width and the shock intensity is obtained. This quantitative inverse relationship is close to other simulation result of nanocrystalline copper and quite different from results of coarse-grained copper compression experiments.