Non-singular straight dislocations in anisotropic crystals

Markus Lazar, Giacomo Po
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Abstract

A non-singular dislocation theory of straight dislocations in anisotropic crystals is derived using simplified anisotropic incompatible first strain gradient elasticity theory. Based on the non-singular theory of dislocations for anisotropic crystals, all dislocation key-formulas of straight dislocations are derived in generalized plane strain, for the first time. In this model, the singularity of the dislocation fields at the dislocation core is regularized owing to the nonlocal nature of strain gradient elasticity. The non-singular dislocation fields of straight dislocations are obtained in terms of two-dimensional anisotropic Green functions of simplified anisotropic strain gradient elasticity. All necessary Green functions, including the two-dimensional Green tensor of the twofold anisotropic Helmholtz-Navier operator and the two-dimensional \(\varvec{F}\)-tensor of generalized plane strain, are derived as sum of the classical part and a gradient part in terms of Meijer G-functions. Among others, we calculate the regularization of the Barnett solution for the elastic distortion of straight dislocations in an anisotropic crystal. In the framework of simplified anisotropic first strain gradient elasticity, the necessary material parameters are computed for cubic materials including aluminum (Al), copper (Cu), iron (Fe) and tungsten (W) using a second nearest-neighbour modified embedded-atom-method interatomic potential. The elastic distortion and stress fields of screw and edge dislocations of \(\frac{1}{2} \langle 111\rangle\) Burgers vector in bcc iron and bcc tungsten and screw and edge dislocations of \(\frac{1}{2} \langle 110\rangle\) Burgers vector in fcc copper and fcc aluminum have been computed and presented in contour plots.

各向异性晶体中的非弧形直线位错
利用简化的各向异性不相容第一应变梯度弹性理论,推导了各向异性晶体中直位错的非矢量位错理论。基于各向异性晶体的非奇异位错理论,首次在广义平面应变中推导出了直位错的所有位错关键公式。在该模型中,由于应变梯度弹性的非局部性,差排核心处的差排场的奇异性被正则化。直线位错的非奇异位错场是通过简化各向异性应变梯度弹性的二维各向异性格林函数得到的。所有必要的格林函数,包括二重各向异性亥姆霍兹-纳维尔算子的二维格林张量和广义平面应变的二维\(\varvec{F}\)-张量,都以经典部分和梯度部分之和的形式导出梅耶尔 G 函数。其中,我们计算了各向异性晶体中直位错弹性变形的巴尼特解的正则化。在简化的各向异性第一应变梯度弹性框架内,我们使用第二近邻修正嵌入原子法原子间势计算了立方材料(包括铝、铜、铁和钨)的必要材料参数。计算了bcc铁和bcc钨中(\frac{1}{2} \langle 111\rangle\) Burgers矢量的螺钉和边缘位错的弹性变形和应力场,以及fcc铜和fcc铝中(\frac{1}{2} \langle 110\rangle\) Burgers矢量的螺钉和边缘位错的弹性变形和应力场,并以等高线图的形式呈现。
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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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