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Asymmetry of the atomic-level stress tensor in homogeneous and inhomogeneous materials

机译:均质和非均质材料中原子级应力张量的不对称性

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摘要

The stress tensor is described as a symmetric tensor in all classical continuum mechanics theories and in most existing statistical mechanics formulations. In this work, we examine the theoretical origins of the symmetry of the stress tensor and identify the assumptions and misinterpretations that lead to its symmetric property. We then make a direct measurement of the stress tensor in molecular dynamics simulations of four different material systems using the physical definition of stress as force per unit area acting on surface elements. Simulation results demonstrate that the stress tensor is asymmetric near dislocation cores, phase boundaries, holes and even in homogeneous material under a shear loading. In addition, the atomic virial stress and Hardy stress formulae are shown to significantly underestimate the stress tensor in regions of stress concentration.
机译:在所有经典连续体力学理论和大多数现有的统计力学公式中,应力张量都被描述为对称张量。在这项工作中,我们检查了应力张量的对称性的理论渊源,并确定了导致其对称性的假设和错误解释。然后,我们使用应力的物理定义作为作用在表面元素上的每单位面积的力,在四种不同材料系统的分子动力学模拟中直接测量应力张量。仿真结果表明,应力张量在位错核心,相界,孔,甚至在均质材料中在剪切载荷作用下都是不对称的。此外,原子病毒应力和Hardy应力公式显示出大大低估了应力集中区域的应力张量。

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