Non-coherent Cu grain boundaries driven by continuous vacancy loading
We use atomistic modeling to study the response of three non-coherent grain boundaries (GBs) in Cu to continuous loading with vacancies. Our simulations yield insights into the structure and properties of these boundaries both near and far from thermal equilibrium. We find that GB energies vary peri...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Springer US
2016
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| Online Access: | http://hdl.handle.net/1721.1/105173 https://orcid.org/0000-0003-3949-0441 |
| _version_ | 1811082148890804224 |
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| author | Demkowicz, Michael J Yu, W. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Demkowicz, Michael J Yu, W. |
| author_sort | Demkowicz, Michael J |
| collection | MIT |
| description | We use atomistic modeling to study the response of three non-coherent grain boundaries (GBs) in Cu to continuous loading with vacancies. Our simulations yield insights into the structure and properties of these boundaries both near and far from thermal equilibrium. We find that GB energies vary periodically as a function of the number of vacancies introduced. Each GB has a characteristic minimum energy state that recurs during continuous vacancy loading, but in general cannot be reached without removing atoms from the boundary. There is no clear correlation of GB energies with GB specific excess volumes or stresses during vacancy loading. However, GB stresses increase monotonically with specific excess volumes. Continuous vacancy loading gives rise to GB migration and shearing, despite the absence of applied loads. Successive vacancies introduced into some of the boundaries accumulate at the cores of what appear to be generalized vacancy dislocation loops. We discuss the implications of these findings for our understanding of grain boundary sink efficiencies under light ion irradiation. |
| first_indexed | 2024-09-23T11:58:21Z |
| format | Article |
| id | mit-1721.1/105173 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T11:58:21Z |
| publishDate | 2016 |
| publisher | Springer US |
| record_format | dspace |
| spelling | mit-1721.1/1051732022-09-27T23:11:13Z Non-coherent Cu grain boundaries driven by continuous vacancy loading Demkowicz, Michael J Yu, W. Massachusetts Institute of Technology. Department of Materials Science and Engineering Demkowicz, Michael J Yu, W. We use atomistic modeling to study the response of three non-coherent grain boundaries (GBs) in Cu to continuous loading with vacancies. Our simulations yield insights into the structure and properties of these boundaries both near and far from thermal equilibrium. We find that GB energies vary periodically as a function of the number of vacancies introduced. Each GB has a characteristic minimum energy state that recurs during continuous vacancy loading, but in general cannot be reached without removing atoms from the boundary. There is no clear correlation of GB energies with GB specific excess volumes or stresses during vacancy loading. However, GB stresses increase monotonically with specific excess volumes. Continuous vacancy loading gives rise to GB migration and shearing, despite the absence of applied loads. Successive vacancies introduced into some of the boundaries accumulate at the cores of what appear to be generalized vacancy dislocation loops. We discuss the implications of these findings for our understanding of grain boundary sink efficiencies under light ion irradiation. United States. Dept. of Energy. Office of Basic Energy Sciences. Center for Materials in Irradiation and Mechanical Extremes (Award 2008LANL1026) 2016-11-03T16:37:55Z 2016-11-03T16:37:55Z 2015-03 2014-11 2016-08-18T15:42:43Z Article http://purl.org/eprint/type/JournalArticle 0022-2461 1573-4803 http://hdl.handle.net/1721.1/105173 Yu, W. S., and M. J. Demkowicz. “Non-Coherent Cu Grain Boundaries Driven by Continuous Vacancy Loading.” Journal of Materials Science 50.11 (2015): 4047–4065. https://orcid.org/0000-0003-3949-0441 en http://dx.doi.org/10.1007/s10853-015-8961-9 Journal of Materials Science Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ Springer Science+Business Media New York application/pdf Springer US Springer US |
| spellingShingle | Demkowicz, Michael J Yu, W. Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title | Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title_full | Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title_fullStr | Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title_full_unstemmed | Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title_short | Non-coherent Cu grain boundaries driven by continuous vacancy loading |
| title_sort | non coherent cu grain boundaries driven by continuous vacancy loading |
| url | http://hdl.handle.net/1721.1/105173 https://orcid.org/0000-0003-3949-0441 |
| work_keys_str_mv | AT demkowiczmichaelj noncoherentcugrainboundariesdrivenbycontinuousvacancyloading AT yuw noncoherentcugrainboundariesdrivenbycontinuousvacancyloading |