Atomic structures of grain boundaries for Si and Ge: A simulated annealing method with artificial-neural-network interatomic potentials
Tatsuya Yokoi, Hirotaka Kato, Yu Oshima, Katsuyuki Matsunaga
Topics & Concepts
MisorientationInteratomic potentialSimulated annealingMolecular dynamicsArtificial neural networkGrain boundaryAnnealing (glass)Tilt (camera)Molecular physicsMaterials scienceComputational physicsCrystallographyChemistryPhysicsComputational chemistryMicrostructureAlgorithmComputer scienceGeometryArtificial intelligenceComposite materialMathematicsMachine Learning in Materials ScienceSemiconductor materials and interfacesSemiconductor materials and devices