Predicting Dislocation Climb and Creep from Explicit Atomistic Details

Here we report kinetic Monte Carlo simulations of dislocation climb in heavily deformed, body-centered cubic iron comprising a supersaturation of vacancies. This approach explicitly incorporates the effect of nonlinear vacancy-dislocation interaction on vacancy migration barriers as determined from...

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Main Authors: Kabir, Mohammad Mukul, Lau, Timothy T., Rodney, David, yip, Sidney, Van Vliet, Krystyn J.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2011
Online Access:http://hdl.handle.net/1721.1/60867
https://orcid.org/0000-0001-5735-0560
https://orcid.org/0000-0002-3230-280X
https://orcid.org/0000-0002-2727-0137
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author Kabir, Mohammad Mukul
Lau, Timothy T.
Rodney, David
yip, Sidney
Van Vliet, Krystyn J.
author2 Massachusetts Institute of Technology. Department of Materials Science and Engineering
author_facet Massachusetts Institute of Technology. Department of Materials Science and Engineering
Kabir, Mohammad Mukul
Lau, Timothy T.
Rodney, David
yip, Sidney
Van Vliet, Krystyn J.
author_sort Kabir, Mohammad Mukul
collection MIT
description Here we report kinetic Monte Carlo simulations of dislocation climb in heavily deformed, body-centered cubic iron comprising a supersaturation of vacancies. This approach explicitly incorporates the effect of nonlinear vacancy-dislocation interaction on vacancy migration barriers as determined from atomistic calculations, and enables observations of diffusivity and climb over time scales and temperatures relevant to power-law creep. By capturing the underlying microscopic physics, the calculated stress exponents for steady-state creep rates agree quantitatively with the experimentally measured range, and qualitatively with the stress dependence of creep activation energies.
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spelling mit-1721.1/608672022-09-27T16:38:27Z Predicting Dislocation Climb and Creep from Explicit Atomistic Details Kabir, Mohammad Mukul Lau, Timothy T. Rodney, David yip, Sidney Van Vliet, Krystyn J. Massachusetts Institute of Technology. Department of Materials Science and Engineering Massachusetts Institute of Technology. Department of Nuclear Science and Engineering Van Vliet, Krystyn J. Kabir, Mohammad Mukul Lau, Timothy T. Rodney, David Yip, Sidney Van Vliet, Krystyn J. Here we report kinetic Monte Carlo simulations of dislocation climb in heavily deformed, body-centered cubic iron comprising a supersaturation of vacancies. This approach explicitly incorporates the effect of nonlinear vacancy-dislocation interaction on vacancy migration barriers as determined from atomistic calculations, and enables observations of diffusivity and climb over time scales and temperatures relevant to power-law creep. By capturing the underlying microscopic physics, the calculated stress exponents for steady-state creep rates agree quantitatively with the experimentally measured range, and qualitatively with the stress dependence of creep activation energies. SKF Global, Inc 2011-01-31T13:35:32Z 2011-01-31T13:35:32Z 2010-08 2010-01 Article http://purl.org/eprint/type/JournalArticle 0031-9007 http://hdl.handle.net/1721.1/60867 Kabir, Mukul et al. "Predicting Dislocation Climb and Creep from Explicit Atomistic Details." Physical Review Letters 105.9 (2010): 095501. © 2010 The American Physical Society https://orcid.org/0000-0001-5735-0560 https://orcid.org/0000-0002-3230-280X https://orcid.org/0000-0002-2727-0137 en_US http://dx.doi.org/10.1103/PhysRevLett.105.095501 Physical Review Letters Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Physical Society APS
spellingShingle Kabir, Mohammad Mukul
Lau, Timothy T.
Rodney, David
yip, Sidney
Van Vliet, Krystyn J.
Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title_full Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title_fullStr Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title_full_unstemmed Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title_short Predicting Dislocation Climb and Creep from Explicit Atomistic Details
title_sort predicting dislocation climb and creep from explicit atomistic details
url http://hdl.handle.net/1721.1/60867
https://orcid.org/0000-0001-5735-0560
https://orcid.org/0000-0002-3230-280X
https://orcid.org/0000-0002-2727-0137
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