Development of interatomic potential for Al–Tb alloys using a deep neural network learning method
Ling Tang, Zhenqing Yang, Tongqi Wen, Kai‐Ming Ho, Matt Kramer, Cai‐Zhuang Wang
Abstract
liquid and the undercooled liquid is also analyzed and three dominant SROs, i.e., Al-centered distorted icosahedron (DISICO) and Tb-centered '3661' and '15551' clusters, respectively, are identified.
Topics & Concepts
Interatomic potentialArtificial neural networkDeep learningMaterials scienceArtificial intelligenceNanotechnologyComputer scienceChemistryMolecular dynamicsComputational chemistryMachine Learning in Materials ScienceThermodynamic and Structural Properties of Metals and AlloysX-ray Diffraction in Crystallography