Exploring grain boundary energy landscapes with the activation-relaxation technique
Name
Alexander_Schuh_Scripta_Materialia_2013_MIT_Libraries.pdf
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2.13 MB
Format
Adobe PDF
Checksum (MD5)
74c2231833cff8c9c98add1c42b1135b
Author(s)
Alexander, Kathleen C.
Schuh, Christopher A.
Date Issued
February 2013
Journal
Scripta Materialia
Publisher
Elsevier
Citation
Alexander, Kathleen C., and Christopher A. Schuh. “Exploring Grain Boundary Energy Landscapes with the Activation-Relaxation Technique.” Scripta Materialia 68, no. 12 (June 2013): 937–940.
Version
Author's final manuscript
Abstract
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 Σ5 (1 3 0), Σ5 (2 1 0) and Σ3 (1 1 1) 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.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Terms of Use
Creative Commons Attribution-NonCommercial-NoDerivs License
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.1016/j.scriptamat.2013.02.038
