Neural-network interatomic potential for grain boundary structures and their energetics in silicon
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DOI: 10.1103/physrevmaterials.4.014605
Abstract: Artificial neural-network (ANN) interatomic potentials for simulating atomic structures and energetics of grain boundaries (GBs) in silicon were constructed and integrated into structural optimization and molecular dynamics (MD) algorithms. A training dataset including various atomic… read more here.
Keywords: network interatomic; structures energetics; neural network; interatomic potential ... See more keywords