Computation of grain boundary stiffness and mobility from boundary fluctuations

SM Foiles and JJ Hoyt, ACTA MATERIALIA, 54, 3351-3357 (2006).

DOI: 10.1016/j.actamat.2006.03.037

Grain boundary stiffness and mobility determine the kinetics of curvature-driven grain growth. Here the stiffness and mobility are computed using an analysis Of fluctuations in the grain boundary position during molecular dynamics simulations. This work represents the first determination of grain boundary stiffness for a realistic three- dimensional system. The results indicate that the boundary stiffness for a given boundary plane has a strong dependence oil the direction of the boundary distortion. The mobility deduced is comparable with that determined in previous computer simulation studies. The advantages and limitations of the fluctuation approach are discussed. (c) 2006 Published by Elsevier Ltd oil behalf of Acta Materialia Inc.

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