Effect of metallic nanowire encapsulation on the tensile behavior of single-walled carbon nanotubes: a molecular dynamics study

S Ajori and H Parsapour and R Ansari and S Haghighi, EUROPEAN PHYSICAL JOURNAL D, 74 (2020).

DOI: 10.1140/epjd/e2020-10104-x

The encapsulation of nanowires (NWs) into single-walled carbon nanotubes (SWCNTs) is of great significance due to the specific mechanical, electrical and magnetic properties of confined NWs as well as application of filled CNTs in nanoelectromechanical systems (NEMS). The tensile behavior of NWs encapsulated-SWCNTs (NWs@SWCNTs) is investigated herein using molecular dynamics (MD) simulations. The results illustrated that Young's moduli of NWs@SWCNTs decrease as the length of nanotube increases. Moreover, pure SWCNTs show higher Young's moduli as compared to NWs@SWCNTs. It is also found that NWs@SWCNTs possess higher ultimate forces than those of pure SWCNTs. In addition, at a given length, the ultimate forces of pure SWCNTs and NWs@SWCNTs increase by increasing the radii of nanotubes.

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