In the past, experimentally observed dislocations were often interpreted using an isolated dislocation assumption because the effect of background dislocation density was difficult to evaluate. Contrarily, dislocations caused by atomistic simulations under periodic boundary conditions can be better interpreted because linear elastic theory has been developed to address the effect of periodic dislocation array in the literature. However, this elastic theory has been developed only for perfect dislocations, but not for dissociated dislocations. The periodic boundary conditions may significantly change the dissociation energy of dislocations and stacking fault width, which in turn, change the deformation phenomena observed in simulations. To enable materials scientists to understand the dislocation behavior under the periodic boundary conditions, we use isotropic elastic theory to analyze the thermodynamics of dissociated periodic dislocations with an arbitrary dislocation character angle. Analytical expressions for force, stacking fault width, and energies are presented in the study. Results obtained from the periodic dislocation array were compared with those obtained from isolated dislocations to shed light on the interpretation of experimentally observed and simulated dislocations.

中文翻译：

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各向同性晶体中周期性位错偶极子解离的热力学分析

过去，由于背景位错密度的影响难以评估，因此通常使用孤立的位错假设来解释实验观察到的位错。相反，在周期性边界条件下由原子模拟引起的位错可以更好地解释，因为线性弹性理论已经发展到解决文献中周期性位错阵列的影响。然而，这种弹性理论仅针对完美位错而开发，而不是针对解离位错。周期性边界条件可能会显着改变位错的解离能和层错宽度，进而改变模拟中观察到的变形现象。为了使材料科学家能够了解周期性边界条件下的位错行为，我们使用各向同性弹性理论来分析具有任意位错特征角的解离周期性位错的热力学。研究中提出了力、层错宽度和能量的解析表达式。将从周期性位错阵列获得的结果与从孤立位错获得的结果进行比较，以阐明实验观察和模拟位错的解释。