New machine learning potentials for beta-tin reproduce the experimentally observed structure and growth morphology of deformation twins, showing that twin growth proceeds via double-layer twinning disconnections and low-energy PA/AP facets.
On the importance of prismatic/basal interfaces in the growth of (-1012) twins in hexagonal close-packed crystals
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abstract
The growth process of of (-1012) twins is studied in Magnesium using atomistic simulations. Two twin seeds are considered and both cases, a specific interface, which places face-to-face prismatic and basal planes, plays an important role. This interface has a low energy corresponding to a cusp in the orientation-dependent interface energy of a twinned bicrystal. This interface appears in several published twin structures and for instance accommodates the large deviations of twin interfaces from (-1012) planes reported recently [Zhang et al., Scr. Mater. 67 (2012) 862].
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The structure and migration of twin boundaries in tetragonal $\beta$-Sn: an application of machine learning based interatomic potentials
New machine learning potentials for beta-tin reproduce the experimentally observed structure and growth morphology of deformation twins, showing that twin growth proceeds via double-layer twinning disconnections and low-energy PA/AP facets.