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Atomistic simulations of grain and interphase...
Journal article

Atomistic simulations of grain and interphase boundary mobility

Abstract

In recent years, atomistic simulations have provided valuable insights into the thermodynamic and kinetic properties of grain and interphase boundaries. In this work, we provide a brief overview of kinetic processes occurring at migrating interfaces and survey various molecular dynamics techniques for extracting grain boundary mobilities. The advantages and disadvantages of fluctuation and applied driving force methods will be discussed. In addition, we review recent examples of simulations that have identified structural phase transformations at grain boundaries. Finally, simulations that have investigated the mobility and atomic mechanisms of growth of an fcc?bcc interphase boundary are summarized.

Authors

Hoyt JJ

Journal

Modelling and Simulation in Materials Science and Engineering, Vol. 22, No. 3,

Publisher

IOP Publishing

Publication Date

April 1, 2014

DOI

10.1088/0965-0393/22/3/033001

ISSN

0965-0393

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