High accuracy neural network interatomic potential for NiTi shape memory alloy
Hao Tang, Yin Zhang, Qing‐Jie Li, Haowei Xu, Yuchi Wang, Yunzhi Wang, Ju Li
Topics & Concepts
Nickel titaniumShape-memory alloyMaterials sciencePseudoelasticityMartensiteDiffusionless transformationInteratomic potentialMolecular dynamicsNanowireDensity functional theoryWork (physics)Condensed matter physicsMetallurgyThermodynamicsMicrostructureNanotechnologyComputational chemistryPhysicsChemistryShape Memory Alloy TransformationsMachine Learning in Materials ScienceTitanium Alloys Microstructure and Properties