Microstructural, electronic, and mechanical properties of Al4La and Al4Sm intermetallics: An experimental and first-principles calculations

The crystal structure, elastic properties, and electronic structure of Al4La and Al4Sm intermetallics were systematically studied by both experimental (SEM, EDS, and nano-indentation) and theoretical methods (firstprinciple calculations). The microstructure of Al-10% La/Sm alloy exhibited a continuous reticular structure containing intermetallics with long needle-like shapes. The calculated lattice constants of Al4La and Al4Sm intermetallics were obtained through structural optimization and agreed with the results obtained by Rietveld refinement with an error of <12.6%. The difference in the calculated and experimental Young's module of Al4La and Al4Sm was less than 7.3%. Further analysis of the elastic constants indicated that Al4La has great plasticity and stiffness than Al4Sm, while Al4Sm showed a more anisotropic Young's modulus. Besides, Al4La is found to perform better than Al4Sm in plasticity and rigidity.

Automated summary

The crystal structure, elastic properties, and electronic structure of Al4La and Al4Sm intermetallics were systematically studied using experimental and theoretical methods. Al4La exhibits greater plasticity and stiffness compared to Al4Sm, while Al4Sm shows a more anisotropic Young's modulus.