Exploring grain boundary energy landscapes with the activation-relaxation technique
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...
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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Elsevier
2016
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| Online Access: | http://hdl.handle.net/1721.1/102376 https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0002-1133-8467 |
| _version_ | 1811076341715435520 |
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| author | Alexander, Kathleen C. Schuh, Christopher A. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Alexander, Kathleen C. Schuh, Christopher A. |
| author_sort | Alexander, Kathleen C. |
| collection | MIT |
| description | 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. |
| first_indexed | 2024-09-23T10:19:52Z |
| format | Article |
| id | mit-1721.1/102376 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T10:19:52Z |
| publishDate | 2016 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | mit-1721.1/1023762022-09-26T17:17:47Z Exploring grain boundary energy landscapes with the activation-relaxation technique Alexander, Kathleen C. Schuh, Christopher A. Massachusetts Institute of Technology. Department of Materials Science and Engineering Schuh, Christopher A. Alexander, Kathleen C. Schuh, Christopher A. 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. United States. Dept. of Energy. Office of Basic Energy Sciences (Award DE-SC0008926) United States. Dept. of Energy. Office of Science (Solid-State Solar-Thermal Energy Conversion Center DE-SC0001299) 2016-05-03T13:36:36Z 2016-05-03T13:36:36Z 2013-02 2013-02 Article http://purl.org/eprint/type/JournalArticle 13596462 http://hdl.handle.net/1721.1/102376 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. https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0002-1133-8467 en_US http://dx.doi.org/10.1016/j.scriptamat.2013.02.038 Scripta Materialia Creative Commons Attribution-NonCommercial-NoDerivs License http://creativecommons.org/licenses/by-nc-nd/4.0/ application/pdf Elsevier Prof. Schuh via Angie Locknar |
| spellingShingle | Alexander, Kathleen C. Schuh, Christopher A. Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title | Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title_full | Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title_fullStr | Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title_full_unstemmed | Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title_short | Exploring grain boundary energy landscapes with the activation-relaxation technique |
| title_sort | exploring grain boundary energy landscapes with the activation relaxation technique |
| url | http://hdl.handle.net/1721.1/102376 https://orcid.org/0000-0001-9856-2682 https://orcid.org/0000-0002-1133-8467 |
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