预测具有任意弹性场的有限体积中溶质浓度和溶质诱发应力的理论框架

Yejun Gu, Jaafar A. El-Awady
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引用次数: 6

摘要

建立了具有任意弹性场的三维有限介质中溶质浓度和溶质诱发应力场的理论模型。该模型可直接用于二维或三维离散位错动力学模拟、连续位错动力学模拟或晶体塑性模拟。利用该模型表明,当氢浓度低至χ0=5×10?时,可在解离边位错下方的拉伸区形成纳米氢化物。5,它的形成引起了局部氢弹性屏蔽效应,导致边缘位错的层错宽度较低。此外,该模型还预测了在Σ109(13 70)/33.4°对称倾斜晶界位错处氢的偏析。这种偏析强烈地改变了晶界处的剪切应力的大小,从而改变了位错-晶界相互作用和跨晶界的位错滑移传递。此外,该模型还预测了i型中心裂纹尖端的氢浓度随着外载荷的增加、内禀氢浓度的增加和裂纹长度的增大而增加。最后,给出了溶质浓度和间隙溶质诱发应力场的线性化近似封闭解。这些近似解可以有效地降低求解溶质存在时的浓度和应力场的计算成本。对于低溶质浓度和/或高温,当感兴趣的位置距离应力奇点(例如位错核心和裂纹尖端)几纳米(即远程弹性相互作用)时,这些近似解也被证明是一个很好的近似。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Theoretical framework for predicting solute concentrations and solute-induced stresses in finite volumes with arbitrary elastic fields

Theoretical framework for predicting solute concentrations and solute-induced stresses in finite volumes with arbitrary elastic fields

A theoretical model for computing the interstitial solute concentration and the interstitial solute-induced stress field in a three-dimensional finite medium with any arbitrary elastic fields was developed. This model can be directly incorporated into two-dimensional or three-dimensional discrete dislocation dynamics simulations, continuum dislocation dynamics simulations, or crystal plasticity simulations. Using this model, it is shown that a nano-hydride can form in the tensile region below a dissociated edge dislocation at hydrogen concentration as low as χ0=5×10?5, and its formation induces a localized hydrogen elastic shielding effect that leads to a lower stacking fault width for the edge dislocation. Additionally, the model also predicts the segregation of hydrogen at Σ109(13 7 0)/33.4° symmetric tilt grain boundary dislocations. This segregation strongly alters the magnitude of the shear stresses at the grain boundary, which can subsequently alter dislocation-grain boundary interactions and dislocation slip transmissions across the grain boundary. Moreover, the model also predicts that the hydrogen concentration at a mode-I central crack tip increases with increasing external loading, higher intrinsic hydrogen concentration, and/or larger crack lengths. Finally, linearized approximate closed-form solutions for the solute concentration and the interstitial solute-induced stress field were also developed. These approximate solutions can effectively reduce the computation cost to assess the concentration and stress field in the presence of solutes. These approximate solutions are also shown to be a good approximation when the positions of interest are several nanometers away (i.e. long-ranged elastic interactions) from stress singularities (e.g. dislocation core and crack tip), for low solute concentrations, and/or at high temperatures.

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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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