理解位错相关性

Thomas Hochrainer, Benedikt Weger, Satyapriya Gupta
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引用次数: 0

摘要

由于晶体塑性是运动和相互作用的位错的结果,似乎不言自明的是,连续统塑性原则上应该作为位错的统计连续统理论推导出来,尽管在实践中我们还远远没有做到这一点。任何相互作用粒子的统计连续统理论的一个关键是考虑空间相关性。然而,由于位错是扩展的一维缺陷,点粒子相关性的经典定义不容易适用于位错系统:位错的线状性质意味着标量对相关函数不足以表征空间相关性,通常需要两点张量的层次。位错作为闭合曲线的扩展性质导致沿位错线有很强的自相关性。在当前的贡献中,我们全面地介绍了一般平均位错系统的对相关的概念,并使用一个简单的模型系统说明了自相关以及低阶相关张量的内容。我们进一步详细说明了如何从三维离散位错模拟中获得对相关信息,并提供了从这种模拟中获得的相关性的第一个分析。我们简要讨论了如何利用对相关信息来改进现有的连续位错理论,以及为什么我们认为对分析离散位错数据很重要。
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Making sense of dislocation correlations

Since crystal plasticity is the result of moving and interacting dislocations, it seems self-evident that continuum plasticity should in principle be derivable as a statistical continuum theory of dislocations, though in practice we are still far from doing so. One key to any statistical continuum theory of interacting particles is the consideration of spatial correlations. However, because dislocations are extended one-dimensional defects, the classical definition of correlations for point particles is not readily applicable to dislocation systems: the line-like nature of dislocations entails that a scalar pair correlation function does not suffice for characterizing spatial correlations and a hierarchy of two-point tensors is required in general. The extended nature of dislocations as closed curves leads to strong self-correlations along the dislocation line. In the current contribution, we thoroughly introduce the concept of pair correlations for general averaged dislocation systems and illustrate self-correlations as well as the content of low order correlation tensors using a simple model system. We furthermore detail how pair correlation information may be obtained from three-dimensional discrete dislocation simulations and provide a first analysis of correlations from such simulations. We briefly discuss how the pair correlation information may be employed to improve existing continuum dislocation theories and why we think it is important for analyzing discrete dislocation data.

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期刊介绍: Journal of Materials Science: Materials Theory publishes all areas of theoretical materials science and related computational methods. The scope covers mechanical, physical and chemical problems in metals and alloys, ceramics, polymers, functional and biological materials at all scales and addresses the structure, synthesis and properties of materials. Proposing novel theoretical concepts, models, and/or mathematical and computational formalisms to advance state-of-the-art technology is critical for submission to the Journal of Materials Science: Materials Theory. The journal highly encourages contributions focusing on data-driven research, materials informatics, and the integration of theory and data analysis as new ways to predict, design, and conceptualize materials behavior.
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