First-principles calculations of structural and mechanical properties of Cu6Sn5

摘要: The elastic constants of polycrystalline Cu6Sn5—an intermetallic in lead-free alternatives several material systems—are presented. results are obtained by applying: (i) Reported crystallographic structure monoclinic single crystal Cu6Sn5, (ii) optimization and determination from first principle calculations, (iii) limit analysis polycrystal stiffness based on properties. agreement between the calculated Young’s modulus (120 GPa) those nanoindentation experiments (112–125 GPa), tight bounds predicted values give a measure confidence other properties for which experimental data unavailable.