ABSTRACT We perform molecular dynamics simulations to investigate the void evolution dynamics in single-crystal iron deformed under uniaxial, biaxial and triaxial loading conditions. We find that the void density is highest for the triaxial case while it is lowest for the uniaxial case. The average void growth rate is highest for the uniaxial case while it is lowest for the triaxial case. The individual void volume fraction for the triaxial case evolves with many discrete jumps due to many coalescence events, while it evolves with few discrete jumps for the uniaxial case. For uniaxial and biaxial cases, the shape of the most dominant void is prolate while it is spherical for the triaxial case. The average void spacing of independent voids is highest for the uniaxial case where the void density is lowest, while it is lowest for the triaxial case where the void density is highest. The observations in the manuscript may be useful to develop frameworks for dynamic fracture models for closer comparison with the experiments.

中文翻译：

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单轴、双轴和三轴加载条件下单晶铁中空隙的演变

摘要 我们进行了分子动力学模拟，以研究在单轴、双轴和三轴加载条件下变形的单晶铁中的空隙演化动力学。我们发现三轴情况下空隙密度最高，而单轴情况下空隙密度最低。单轴情况下的平均空隙增长率最高，而三轴情况下最低。由于许多聚结事件，三轴情况下的单个空隙体积分数随着许多离散跳跃而演变，而单轴情况下它随着很少离散跳跃而演变。对于单轴和双轴情况，最主要的空隙形状是扁长的，而对于三轴情况则是球形的。对于空隙密度最低的单轴情况，独立空隙的平均空隙间距最高，而在空隙密度最高的三轴情况下最低。手稿中的观察结果可能有助于开发动态断裂模型的框架，以便与实验进行更密切的比较。