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Structural stability, shape memory and mechanical properties of Fe/Ni core/shell nanorods

Abstract:

During recent years, production and characterization of core-shell nanostructures have been in the center of attention due to their unique functional properties, which are useful for potential uses in technological devices. However, several issues regarding their basic physics remain unexplored. In this work, we report on an extensive molecular dynamics study of the thermomechanical properties of cylindrical Fe, Ni and Fe/Ni core/shell nanowires under uniaxial tensile strain. The mechanical properties are analyzed and the deformation mechanisms, as well as the size and temperature effects, are studied and discussed. Results indicate that the nanowires are elastically softer than the bulk iron and a weakening effect is observed as increasing the diameter of the samples. The Fe/Ni core/shell systems exhibit shape memory effect when they are grown along the crystal directions considered here, what makes these systems potentially interesting for technical applications.