The paper analyzes the redistribution of atomic displacements in an initially defect-free copper crystallite after shear deformation with emphasis on the evolution of dynamic structures formed by self-consistent collective atomic rotations. The analysis is based on an original technique which allows one to identify vortex motion in a vector variable space with a discrete step. The results of research show that the direction of consistent atomic motion in vortex structures varies with time and from vortex to vortex. Such spatial alternation of rotations in the material provides its continuity along the boundaries of vortex structures, and their time-variant direction ensures stress and strain transfer from the bulk of the loaded crystal to its peripheral free boundaries. When the strain goes above its critical value, such redistribution can lead to the formation of structural defects. Thus, the vortex structures formed by elastic atomic displacements can be considered as dynamic defects because they provide a way for internal relaxation in the loaded material.

中文翻译：

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受剪切变形的晶体中旋转原子位移演化的分子动力学研究

该论文分析了剪切变形后最初无缺陷的铜微晶中原子位移的重新分布，重点是由自洽集体原子旋转形成的动态结构的演变。该分析基于一种原始技术，该技术允许以离散步长识别矢量变量空间中的涡旋运动。研究结果表明，涡结构中一致原子运动的方向随时间和从一个涡旋到另一个涡旋而变化。材料中旋转的这种空间交替提供了其沿涡流结构边界的连续性，并且它们的时变方向确保应力和应变从加载的晶体主体转移到其外围自由边界。当应变超过其临界值时，这种重新分布会导致结构缺陷的形成。因此，由弹性原子位移形成的涡旋结构可以被认为是动态缺陷，因为它们为负载材料的内部松弛提供了一种途径。