Insensitivity of Grain boundary Stress Fields to Area Variations

IF 1.5 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER
Jinbo Yang, Yaling Chen, Yu Guo, Lingxiao Meng, Jingxin Yan, Huajie Yang, Zhefeng Zhang
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Abstract

The atomistic simulations in this article substantiate that grain boundary stress fields remain unaffected by changes in their area, aligning with the Olson–Cohen theory which supports that such area insensitivity is an inherent outcome of the combined effect of coherency and anti‐coherency dislocations. Twist grain boundaries are employed in α‐iron as a model in atomistic simulations, revealing and contrasting the dislocations and stresses of these grain boundaries when their area varies from infinity to a few square nanometers. It is discovered that the grain boundary stresses remain relatively constant, always short‐ranged. Furthermore, within the framework of the Frank–Bilby equation, the line directions and spacing of coherency and anti‐coherency dislocation arrays in a grain boundary are predicted, the stresses of these dislocations are subsequently calculated numerically, and these stresses are superimposed together to form the grain boundary stress field. The numerical calculations verify that stress fields of grain boundaries are not sensitive to changes of their area, corroborating our atomistic simulations. The preliminary atomistic simulations of various homophase and heterophase boundaries further affirm this area insensitivity.
晶界应力场对面积变化不敏感
本文中的原子模拟证实了晶界应力场不受其面积变化的影响,这与奥尔森-科恩理论一致,后者支持这种面积不敏感性是一致性和反一致性位错共同作用的固有结果。原子模拟以α-铁中的扭曲晶界为模型,揭示并对比了当晶界面积从无穷大到几平方纳米变化时的位错和应力。研究发现,晶界应力保持相对恒定,始终为短程应力。此外,在弗兰克-比尔比方程的框架内,预测了晶界中相干和反相干位错阵列的线方向和间距,随后对这些位错的应力进行了数值计算,并将这些应力叠加在一起形成了晶界应力场。数值计算验证了晶界应力场对晶界面积的变化并不敏感,从而证实了我们的原子模拟。对各种同相和异相边界的初步原子模拟进一步证实了这种面积不敏感性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Physica Status Solidi B-basic Solid State Physics
Physica Status Solidi B-basic Solid State Physics 物理-物理:凝聚态物理
CiteScore
3.30
自引率
6.20%
发文量
321
审稿时长
2 months
期刊介绍: physica status solidi is devoted to the thorough peer review and the rapid publication of new and important results in all fields of solid state and materials physics, from basic science to applications and devices. Being among the largest and most important international publications, the pss journals publish review articles, letters and original work as well as special issues and conference contributions. physica status solidi b – basic solid state physics is devoted to topics such as theoretical and experimental investigations of the atomistic and electronic structure of solids in general, phase transitions, electronic and optical properties of low-dimensional, nano-scale, strongly correlated, or disordered systems, superconductivity, magnetism, ferroelectricity etc.
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