Defect cluster configurations and mobilities in α-Zr: A comparison of the BMD19 and M07 interatomic potentials
Jose F. March-Rico, Brian D. Wirth
Topics & Concepts
Vacancy defectCluster (spacecraft)AnisotropyInteratomic potentialIsotropyBurgers vectorDiffusionCrystallographyThermal diffusivityZirconiumPlane (geometry)Condensed matter physicsCrystallographic defectDislocationChemistryIcosahedral symmetryPlanarMolecular dynamicsMaterials scienceMolecular physicsGeometryPhysicsComputational chemistryThermodynamicsMathematicsComputer graphics (images)Programming languageInorganic chemistryComputer scienceQuantum mechanicsNuclear Materials and PropertiesFusion materials and technologiesNuclear materials and radiation effects