Stable and metastable structures and their energetics of asymmetric tilt grain boundaries in MgO: a simulated annealing approach
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DOI: 10.1007/s10853-020-05488-4
Abstract: A simulated annealing (SA) method based on molecular dynamics is employed to reveal atomic structures of asymmetric tilt grain boundaries (ATGBs) in MgO. Σ5 and Σ13 ATGBs with the [001] tilt axis are systematically investigated.… read more here.
Keywords: metastable structures; asymmetric tilt; tilt grain; grain boundaries ... See more keywords