The influence of covering a germanium nanowire with a single wall carbon nanotube on mechanical properties: A molecular dynamics study
M Abdollahi and J Davoodi, JOURNAL OF APPLIED PHYSICS, 122, 035102 (2017).
Semiconductor nanowires are potential candidates for applications in quantum information processing, Josephson junctions, and field-effect transistors. Therefore, this study focused on the effects of covering a germanium nanowire (GeNW) with a single wall carbon nanotube (CNT) on the stress-strain diagram, failure points, and Young's modulus using molecular dynamics simulations. To describe the interactions between atoms in the system, we used Tersoff potential. Also, a Nose-Hoover thermostat was employed to control temperature of the system. The stress-strain curves of GeNW and GeNW inside CNT (CNT-GeNW) were obtained at various temperatures, radii, and strain velocities. It was found that coverage of GeNW with CNT led to 2-6 fold improved Young's modulus. It was also determined that a significant part of the Young's modulus in CNT-GeNW is due to the presence of CNT. Moreover, we defined the behavior of Young's modulus of GeNW as well as CNT-GeNW in the 100, 110, and 111 crystallography direction and found that Young's modulus decreased with increasing temperature. In addition, by increasing strain velocity, Young's modulus decreased for GeNW but increased for CNT-GeNW. Finally, we observed that when a GeNW is covered by a CNT, its failure point increased as compared with GeNW. Published by AIP Publishing.
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