A taxonomy of grain boundary migration mechanisms via displacement texture characterization

نویسندگان

چکیده

Atomistic simulations provide the most detailed picture of grain boundary (GB) migration currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data is difficult because zoo competing, geometrically complex 3D atomic rearrangement processes. In this work, we introduce displacement texture characterization framework for analyzing events during GB migration, combining ideas slip vector analysis, bicrystallography and optimal transportation. Two types decompositions are described: shear-shuffle min-shuffle decomposition. The former used to extract shuffling patterns shear coupled trajectories latter analyze temperature dependent mechanisms. As an application framework, characterize geometry dependence a crystallographically diverse set mobile GBs in FCC Ni bicrystals. scientific contributions analysis include 1) explanation plane via metastable 2) taxonomy multimodal constrained which may multiple competing patterns, period doubling effects, distinct sliding coupling events, self diffusion.

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ژورنال

عنوان ژورنال: Acta Materialia

سال: 2022

ISSN: ['1873-2453', '1359-6454']

DOI: https://doi.org/10.1016/j.actamat.2021.117425