Exploring grain boundary energy landscapes with the activation-relaxation technique

SCRIPTA MATERIALIA

卷:68

Article

Alexander, Kathleen C.¹  Schuh, Christopher A.¹ 

[1] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA

关键词: Grain boundary energy;    Grain boundary migration;    Grain boundary sliding;    Energy landscape;    Simulation;   

DOI  :  10.1016/j.scriptamat.2013.02.038

来源: Elsevier

【 摘 要 】

To develop a structure-kinetic property mapping for grain boundaries requires an understanding of their energy landscapes, i.e. the energy basins and nearby saddle points separating adjacent structures. We implement the activation-relaxation technique to obtain a first view of grain boundary energy landscapes for the Sigma 5 (130), Sigma 5 (210) and Sigma 3 (111) grain boundaries in copper. The energy landscapes of these boundaries are very different, which supports a focus on energy landscapes, rather than absolute boundary energy, to understand boundary properties. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

【 授权许可】

Free