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中文摘要：
怎么正确地从原子论的模拟提取 Cauchy 应力是在学习原子系统的机械行为的一个关键问题，但是仍然在争吵。在这份报纸，三个典型原子论的模拟例子被用来验证各种各样的存在压力定义。古典 virial 压力在在这些例子预言压力失败，这被发现，因为速度取决于本地平均的卷或参考书框架速度和另外的因素的选择。相反， Lagrangian 剖面图压力和 Lagrangian virial 压力被这些例子，和即时 Lagrangian 原子压力定义验证也为动态问题被建议。
英文摘要：
How to correctly extract Cauchy stress from the atomistic simulations is a crucial issue in studying the mechanical behaviours of atomic systems, but is still in controversy. In this paper, three typical atomistic simulation examples are used to validate various existing stress definitions. It is found that the classical virial stress fails in predicting the stresses in these examples, because the velocity depends on the choice of the local average volume or the reference frame velocity and other factors. In contrast, the Lagrangian cross-section stress and Lagrangian virial stress are validated by these examples, and the instantaneous Lagrangian atomic stress definition is also proposed for dynamical problems.
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