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Emergence of directionally-anisotropic mobility in a faceted Ʃ11 <110> tilt grain boundary in Cu
Modelling and Simulation in Materials Science and Engineering ( IF 1.8 ) Pub Date : 2020-05-18 , DOI: 10.1088/1361-651x/ab8baa
Megan J McCarthy 1 , Timothy J Rupert 1, 2
Affiliation  

Faceted grain boundaries, where grain boundary area is increased in the name of producing low-energy segments, can exhibit new and unexpected migration trends. For example, several faceted $\Sigma$3 boundaries have demonstrated anti-thermal and thermally damped mobility. $\Sigma$11 tilt boundaries represent another promising but relatively unexplored set of interfaces, with a (113) low-energy plane that can lead to faceting. In this study, molecular dynamics simulations are used to study grain boundary migration of an asymmetric $\Sigma$11 grain boundary in two face centered cubic metals. Mobility of this boundary in Cu is strongly dependent on the direction of the applied driving force. The mobility anisotropy generally becomes smaller, but does not disappear completely, as temperature is increased. In contrast, the same boundary in Al demonstrates similar mobilities in either direction, illustrating that the anisotropic mobility phenomenon is material-dependent. Finally, relationships between stacking fault energy, facet junction defect content, and boundary crystallography are uncovered that may inform future studies of faceted grain boundaries.

中文翻译:

在 Cu 的刻面 Ʃ11 <110> 倾斜晶界中出现方向各向异性迁移率

多面晶界,其中晶界面积以产生低能量片段的名义增加,可以表现出新的和意想不到的迁移趋势。例如,几个多面的 $\Sigma$3 边界已经证明了抗热和热阻尼流动性。$\Sigma$11 倾斜边界代表另一组有前途但相对未开发的界面,具有(113)低能量平面,可以导致刻面。在这项研究中,分子动力学模拟用于研究两种面心立方金属中不对称 $\Sigma$11 晶界的晶界迁移。该边界在 Cu 中的迁移率很大程度上取决于所施加驱动力的方向。随着温度的升高,迁移率各向异性通常会变小,但不会完全消失。相比之下,Al 中的相同边界在任一方向上表现出相似的迁移率,说明各向异性迁移率现象与材料有关。最后,揭示了堆垛层错能、小面结缺陷含量和晶界晶体学之间的关系,这可能为小面晶界的未来研究提供信息。
更新日期:2020-05-18
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