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

• Published in: Journal of alloys and compounds Vol. 877; p. 160206
• Main Authors: Mejía-Burgos, D., Berríos, S.A., Mazo-Zuluaga, J., Mejía-López, J.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 05-10-2021; Elsevier BV
• Subjects: Core-shell structure; Crystal growth; Deformation effects; Deformation mechanisms; Fe/Ni core-shell nanowires; Iron; Mechanical properties; Molecular dynamics; Nanorods; Nanowires; Nickel; Shape effects; Shape memory; Structural stability; Temperature effects; Tensile strain; Thermomechanical deformation; Thermomechanical properties; Molecular dynamics; Thermomechanical deformation; Fe/Ni core-shell nanowires; Shape memory
• ISSN: 0925-8388; 1873-4669
• DOI: 10.1016/j.jallcom.2021.160206

•Surface structural relaxation of Fe/Ni core/shell nanorods and their effects on their stability and thermomechanical properties.•Effects of sample size and temperature on the exhibited tensile phenomena at the nanoscopic level.•Temperature as a driving force for transformations as the shape memory effect in Fe/Ni core/shell nanorods.
[Display omitted]
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.