Development of U-Zr-Xe ternary interatomic potentials appropriate for simulation of defect and Xe behaviors in U-Zr system
Peng Jiang, Rongyang Qiu, Jinli Cao, Xichuan Liao, Yangchun Chen, Zhixiao Liu, Xinfu He, Wen Yang, Huiqiu Deng
Topics & Concepts
Interatomic potentialLattice constantMolecular dynamicsEmbedded atom modelThermodynamicsMaterials scienceTernary operationMelting pointEnthalpyAlloyDensity functional theoryFissionXenonCrystallographic defectAtomic physicsChemistryNeutronComputational chemistryCrystallographyNuclear physicsMetallurgyDiffractionPhysicsProgramming languageOpticsComputer scienceComposite materialNuclear Materials and PropertiesFusion materials and technologiesNuclear reactor physics and engineering