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Fundamental mechanism of BCC-FCC phase transition from a constructed PdCu potential through molecular dynamics simulation

Bcc-fcc Phase TransitionEngineeringPhysicsNatural SciencesApplied PhysicsCondensed Matter PhysicsNanoscale ModelingMolecular Dynamics SimulationComputational ChemistryQuantum ChemistryMolecular DynamicsFundamental MechanismAb-initio Method