Fitzgerald, SP orcid.org/0000-0003-2865-3057 (2018) Structure and dynamics of crowdion defects in bcc metals. Journal of Micromechanics and Molecular Physics, 3 (03n04). ARTN 1840003. ISSN 2424-9130
Abstract
Crowdion defects are produced in body-centered-cubic metals under irradiation. Their structure and diffusive dynamics play a governing role in microstructural evolution, and hence the mechanical properties of nuclear materials. In this paper, we apply the analytical Frenkel-Kontorova model to crowdions and clusters thereof (prismatic dislocation loops) and show that the Peierls potential in which these defects diffuse is remarkably small (in the micro eV range as compared to the eV range for other defects). We also develop a coarse-grained statistical methodology for simulating these fast-diffusing objects in the context of object kinetic Monte Carlo, which is less vulnerable to the low barrier problem than naïve stochastic simulation.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | (c) World Scientific Publishing Company. This is an author produced version of a paper published in Journal of Micromechanics and Molecular Physics. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Point defects; bcc metals; multiscale modeling |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Mathematics (Leeds) > Applied Mathematics (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 23 Aug 2018 14:08 |
Last Modified: | 12 Sep 2019 00:38 |
Status: | Published |
Publisher: | World Scientific Publishing |
Identification Number: | 10.1142/S2424913018400039 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:134838 |