Insights into grain boundary energy structure-property relationships by examining computed [100] disorientation axis grain boundaries in Nickel

SCRIPTA MATERIALIA

卷:185

Article

Erickson, Hunter C.¹  Homer, Eric R.¹ 

[1] Brigham Young Univ, Dept Mech Engn, Provo, UT 84602 USA

关键词: Grain boundaries;    Atomistic simulations;    Nickel;   

DOI  :  10.1016/j.scriptamat.2020.03.062

来源: Elsevier

【 摘 要 】

A study of 346 computed [1 0 0] disorientation axis grain boundaries provides insight into grain boundary energy structure-property relationships. The grain boundaries come from 6 coincidence site lattice misorientations at regularly spaced disorientation angles, and cover the full range of boundary plane orientations. The computed energy has clear trends in disorientation angle and boundary plane orientation. The data are used to reexamine the 'special' attribute frequently applied to low Sigma coincidence site lattice misorientations and low-angle boundaries and to assess the accuracy of a face-centered cubic grain boundary energy function developed by Bulatov, Reed, and Kumar (Acta Mater. 65 (2014) 161-175). (C) 2020 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free