Shuffling mode competition leads to directionally anisotropic mobility of faceted Sigma 11 boundaries in fcc metals

MJ McCarthy and TJ Rupert, PHYSICAL REVIEW MATERIALS, 4, 113402 (2020).

DOI: 10.1103/PhysRevMaterials.4.113402

Faceted grain boundaries can migrate in interesting and unexpected ways. For example, faceted Sigma 11 (110) tilt grain boundaries were observed to exhibit mobility values that could be strongly dependent on the direction of migration. In order to understand whether this directionally anisotropic mobility is a general phenomenon and to isolate mechanistic explanations for this behavior, molecular dynamics simulations of bicrystals evolved under an artificial driving force are used to study interface migration for a range of boundary plane inclination angles and temperatures in multiple face-centered-cubic metals (Al, Ni, and Cu). We find that directionally anisotropic mobility is active in a large fraction of these boundaries in Ni and Cu and should therefore impact the coarsening of polycrystalline materials. On the other hand, no such anisotropy is observed in any of the Al boundaries, showing that this behavior is material dependent. Migration of the faceted boundaries is accomplished through transformation events at facet nodes and incommensurate boundary plane facets, which are termed shuffling modes. Three major shuffling modes have been identified, namely, Shockley shuffling, slip plane shuffling, and disordered shuffling. A shift from the first two ordered modes to the third disordered mode is found to be responsible for reducing or removing directionally anisotropic mobility, especially at the highest temperatures studied.

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