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Investigation of the elastically shock-compressed region and elastic-plastic shock transition in single-crystalline copper to understand the dislocation nucleation mechanism under shock compression

机译:单晶铜弹性震动压缩区域和弹性塑性冲击过渡的研究,了解冲击压缩下的位移成核机制

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摘要

Shock-induced plasticity in FCC crystals has been demonstrated in many experimental and numerical simulation studies. Even though some theories have been proposed with regard to dislocation nucleation, the phenomenon occurring in the elastically shock-compressed region and the elastic-plastic transition region, which might be the origin region for dislocation nucleation, is largely unexplored. In this work, we present a molecular dynamics simulation of the shock compression of a Cu single crystal along the < 110 > direction specifically focusing on the mechanisms observed in the elastically compressed and the elastic-plastic transition regions. A distribution of planes of high and low atomic volume is observed in the elastically compressed region near the shock front, but the distribution becomes random as the elastic-plastic transition regime is approached. Density variations are also observed. It is observed that the formation of the defects initiates through local atomic shuffling/rearrangement. Shear stress distribution shows values greater than those required for homogeneous nucleation, and Shockley partials are observed at a certain region behind the shock front. Potential energy variations are also observed in these regions, explaining the mechanisms leading to dislocation nucleation. The present findings shed new insight into the mechanism of dislocation nucleation in shock-induced single-crystal FCC metals.
机译:在许多实验和数值模拟研究中已经证明了FCC晶体中的冲击诱导的可塑性。尽管已经提出了一些关于脱位成核的理论,但是在弹性冲击压缩区域和弹性塑料过渡区域中发生的现象即使是脱位成核的起源区域的现象在很大程度上是未探斗的。在这项工作中,我们展示了Cu单晶的冲击压缩沿着<110>特异性地关注在弹性压缩和弹性塑料过渡区域中观察到的机构的情况的分子动力学模拟。在震动前部附近的弹性压缩区域中观察到高和低原子体积的平面分布,但随着接近弹性塑料过渡制度,分布变得随机。还观察到密度变化。观察到缺陷的形成通过局部原子洗片/重排引发。剪切应力分布显示大于均匀成核所需的值,并且在震动前部后面的某个区域观察到震撼部分。在这些区域中也观察到潜在的能量变化,解释了导致位移成核的机制。本研究结果揭示了对冲击诱导的单晶FCC金属脱位成核机制的新洞察。

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