Atomistic Simulation of Slow Grain Boundary Motion

Chuang, Deng; Schuh, Christopher A

doi:10.1103/PHYSREVLETT.106.045503

Title: Atomistic Simulation of Slow Grain Boundary Motion

Journal Article · Fri Jan 28 00:00:00 EST 2011 · Physical Review Letters

DOI:https://doi.org/10.1103/PHYSREVLETT.106.045503· OSTI ID:21532267

Chuang, Deng; Schuh, Christopher A ^[1]

Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139 (United States)

Existing atomistic simulation techniques to study grain boundary motion are usually limited to either high velocities or temperatures and are difficult to compare to realistic experimental conditions. Here we introduce an adapted simulation method that can access boundary velocities in the experimental range and extract mobilities in the zero driving force limit at temperatures as low as {approx}0.2T{sub m} (T{sub m} is the melting point). The method reveals three mechanistic regimes of boundary mobility at zero net velocity depending on the system temperature.

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OSTI ID:: 21532267

Journal Information:: Physical Review Letters, Vol. 106, Issue 4; Other Information: DOI: 10.1103/PhysRevLett.106.045503; (c) 2011 American Institute of Physics; ISSN 0031-9007

Country of Publication:: United States

Language:: English

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Similarities of the Collective Interfacial Dynamics of Grain Boundaries and Nanoparticles to Glass-Forming Liquids Zhang, Hao; Douglas, Jack F. Liquid Polymorphism, Volume 152 https://doi.org/10.1002/9781118540350.ch19	book	April 2013
Trends in Grain Boundary Mobility: Survey of Motion Mechanisms Homer, Eric R.; Holm, Elizabeth A.; Foiles, Stephen M. JOM, Vol. 66, Issue 1 https://doi.org/10.1007/s11837-013-0801-2	journal	November 2013
Effect of pinning particles on grain boundary motion from interface random walk Chen, Dengke; Ghoneim, Tarek; Kulkarni, Yashashree Applied Physics Letters, Vol. 111, Issue 16 https://doi.org/10.1063/1.4986294	journal	October 2017
Confined glassy dynamics at grain boundaries in colloidal crystals Nagamanasa, K. H.; Gokhale, S.; Ganapathy, R. Proceedings of the National Academy of Sciences, Vol. 108, Issue 28 https://doi.org/10.1073/pnas.1101858108	journal	June 2011
Autonomous basin climbing method with sampling of multiple transition pathways: application to anisotropic diffusion of point defects in hcp Zr Fan, Yue; Yip, Sidney; Yildiz, Bilge Journal of Physics: Condensed Matter, Vol. 26, Issue 36 https://doi.org/10.1088/0953-8984/26/36/365402	journal	August 2014
Atomistic modeling of grain boundary motion as a random walk Chen, Dengke; Kulkarni, Yashashree Physical Review Materials, Vol. 2, Issue 9 https://doi.org/10.1103/physrevmaterials.2.093605	journal	September 2018

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36 MATERIALS SCIENCE
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
GRAIN BOUNDARIES
MELTING POINTS
MOBILITY
SIMULATION
TEMPERATURE DEPENDENCE
VELOCITY
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PHYSICAL PROPERTIES
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Title: Atomistic Simulation of Slow Grain Boundary Motion

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References (11)

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