Atomistic Simulation of Creep in a Nanocrystal
Name
Lau-2010-Atomistic Simulation.pdf
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1.41 MB
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Author(s)
Lau, Timothy T.
Kushima, Akihiro
Yip, Sidney
Date Issued
April 2010
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Lau, Timothy T., Akihiro Kushima, and Sidney Yip. “Atomistic Simulation of Creep in a Nanocrystal.” Physical Review Letters 104.17 (2010): 175501. © 2010 The American Physical Society
Version
Final published version
Abstract
We describe a method to simulate on macroscopic time scales the stress relaxation in an atomistic nanocrystal model under an imposed strain. Using a metadynamics algorithm for transition state pathway sampling we follow the full evolution of a classical anelastic relaxation event, with relaxation times governed by the nanoscale microstructure imperfections in the solid. We show that probing this sensitive variation leads to mechanistic insights that reveal a direct correlation between system-level relaxation behavior and localized atomic displacements in the vicinity of the nanostructured defects, in turn implying a unit mechanism for self-organized plastic response. This suggests a new class of measurements in which the microstructure imperfections are characterized and matched to predictive simulations enabled by the present method.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
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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.
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DOI of Published Version
https://doi.org/10.1103/PhysRevLett.104.175501
