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Traditionally, due to the impurities inevitably present in real materials that limit the grain-boundary (GB) mobility, the processes of grain growth and GB diffusion are thought to involve similar activation barriers. However, recent molecular dynamics (MD) simulations of GB migration in bicrystals have suggested that, in pure materials, GB diffusion and GB migration involve distinct mechanisms and,...
A molecular-dynamics method for the simulation of the intrinsicmigration behavior of individual, flat grain boundaries is introducedand validated. A constant driving force for grain-boundary migrationis generated by imposing an anisotropic elastic strain on a bicrystalsuch that the elastic-energy densities in its two halves aredifferent. For the model case of a large-planar-unit-cell, high-angle(001)...
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