Mechanical properties, thermal conductivity and defect formation energies of samarium immobilization in Gd2Zr2O7: First-principles study and irradiation experiment
Yuhao Wang, Jia‐Hu Ouyang, Tao Wei, Gui Cao, Zhan‐Guo Liu, Zhao-Ying Ding, Yujin Wang, Yaming Wang
Topics & Concepts
PyrochloreMaterials scienceIrradiationIonDebye modelThermal conductivitySamariumDensity functional theoryAmorphous solidCrystallographyFluoriteFluenceFrenkel defectCrystallographic defectPhase (matter)ChemistryThermodynamicsInorganic chemistryComputational chemistryComposite materialMetallurgyPhysicsOrganic chemistryNuclear physicsNuclear materials and radiation effectsNuclear Materials and PropertiesAdvanced Condensed Matter Physics