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Reconciling grain growth and shear-coupled grain boundary migration

机译:调和晶粒长大和剪切耦合的晶界迁移

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摘要

Conventional models for grain growth are based on the assumption that grain boundary (GB) velocity is proportional to GB mean curvature. We demonstrate via a series of molecular dynamics (MD) simulations that such a model is inadequate and that many physical phenomena occur during grain boundary migration for which this simple model is silent. We present a series of MD simulations designed to unravel GB migration phenomena and set it in a GB migration context that accounts for competing migration mechanisms, elasticity, temperature, and grain boundary crystallography. The resultant formulation is quantitative and validated through a series of atomistic simulations. The implications of this model for microstructural evolution is described. We show that consideration of GB migration mechanisms invites considerable complexity even under ideal conditions. However, that complexity also grants these systems enormous flexibility, and that flexibility is key to the decades-long success of conventional grain growth theories.
机译:传统的晶粒长大模型基于以下假设:晶界(GB)速度与GB平均曲率成正比。我们通过一系列分子动力学(MD)模拟证明,这种模型是不充分的,并且在晶界迁移过程中会发生许多物理现象,而对于该简单模型而言,这种现象是无声的。我们提出了一系列旨在模拟GB迁移现象的MD模拟,并将其设置在GB迁移环境中,该环境考虑了竞争性迁移机制,弹性,温度和晶界结晶学。所得配方是定量的,并通过一系列原子模拟进行了验证。描述了该模型对微观结构演变的意义。我们表明,即使在理想条件下,对GB迁移机制的考虑也会带来相当大的复杂性。但是,这种复杂性也使这些系统具有极大的灵活性,而灵活性是传统谷物生长理论数十年来成功的关键。

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