Understanding the anomalous thermal behavior of Σ3 grain boundaries in a variety of FCC metals
Understanding the anomalous thermal behavior of Σ3 grain boundaries in a variety of FCC metals
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DOI：
10.1016/j.scriptamat.2018.07.011
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发表时间：
2018-12-01
影响因子：
6
通讯作者：
Holm, Elizabeth
中科院分区：
文献类型：
--
作者：
Chesser, Ian;Holm, Elizabeth
我们提出了晶界迁移率复杂的温度依赖性的案例研究。在分子动力学合成驱动力模拟过程中，发现不同 FCC 金属中相同的一般非相干孪晶边界表现出反热、热和混合迁移率。最近开发的能量度量称为广义界面断层能量（GIFE）表面，用于表明以反热方式移动的孪晶边界比以热激活方式移动的孪晶边界具有更低的运动能量势垒。利用 GIFE 曲线预测晶界运动的温度依赖性将加速晶界科学的研究。 (C) 2018 Acta Materialia Inc. 由 Elsevier Ltd 出版。保留所有权利。
We present a case study of the complex temperature dependence of grain boundary mobility. The same general incoherent twin boundary in different FCC metals is found to display antithermal, thermal, and mixed mobility during molecular dynamics synthetic driving force simulations. A recently developed energy metric known as the generalized interfacial fault energy (GIFE) surface is used to show that twin boundaries moving in an antithermal manner have a lower energetic barrier to motion than twin boundaries moving in a thermally activated manner. Predicting the temperature dependence of grain boundary motion with GIFE curves stands to accelerate research in grain boundary science. (C) 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.