Journal
ACTA MATERIALIA
Volume 54, Issue 7, Pages 1707-1719Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2005.11.036
Keywords
grain boundary migration; grain rotation; boundary energy anisotropy; molecular dynamics; phase field
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The energy of a polycrystalline network can be reduced by both grain boundary migration and grain rotation. We perform a series of molecular dynamics (M D) simulations of a circular grain embedded in an otherwise single-crystal matrix and monitor both the grain size and the misorientation of the two grains as a function of time. The MID simulations show that grain boundary migration and grain rotation Occur simultaneously. The grains rotate toward local minima or cusps in the grain boundary energy versus misorientation plots. The rate of rotation decreases with increasing grain size. The boundary migration rate is a maximum at the orientations corresponding to cusps in the boundary energy. We use the MD results to fit parameters in a sharp interface limit of a phase field model of simultaneous grain boundary migration and grain rotation. With this parameterization, the phase field model is able to reproduce simultaneously the time dependence of the grain size and misorientation of the initially circular grain. The MID simulations are consistent with the phase field prediction of the grain size dependence of the rotation rate. The implications of the results for grain growth are discussed. (c) 2006 Published by Elsevicr Ltd on behalf of Acta Materialia Inc.
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