Abstract
In this study, the mechanical deformation behaviors of Au nanotubes (Au-NTs) under torsional stress are investigated using molecular dynamics (MD) simulations. The inter-atomic interaction is modeled using the embedded-atom potential. In particular, the effects of loading rate, thickness and length of the nanotube, as well as the thermal effects were systematically explored. The results indicated that higher loading rate, longer length and thinner wall thickness all led to a larger value of critical torsional angle (θcr), which signifies the onset of plastic deformation. On the other hand, θcr decreases with increasing temperature in all simulated results. Moreover, the torsional buckling deformation behavior and geometrical instability are found to strongly depend on the length of Au-NTs, the applied strain rate and temperature with vastly different underlying mechanisms.
Highlights
One-dimensional nanostructures are widely regarded as among the most important building blocks in fabricating nano-scale devices for nanoelectronics, high efficiency energy storage, optoelectronics and biomedical applications.[1,2,3,4,5] In particular, metallic nanowires are of technological importance due to their widespread applications in interconnecting components of nanodevices.[6]
As the torsion process proceeds with further increasing torsional angles, in addition to those concentrated in the vicinity of the two ends where the torsional stresses were applied, more
The effects of loading rate, nanotube length, and wall thickness on θcr as a function of temperature are shown in Figs. 4(a), 4(b), and 4(c), respectively
Summary
One-dimensional nanostructures are widely regarded as among the most important building blocks in fabricating nano-scale devices for nanoelectronics, high efficiency energy storage, optoelectronics and biomedical applications.[1,2,3,4,5] In particular, metallic nanowires are of technological importance due to their widespread applications in interconnecting components of nanodevices.[6] Among various metallic nanowires, Au nanowire is one of the most prominent candidates for electrical interconnectors of nanodevices owing to its superior corrosion resistance in harsh environments. In order to successfully integrating Au nanowires into nanodevices and attaining reliability and stability of the system, in addition to contact and electrical transport issues, detailed knowledge on the mechanical properties and deformation behaviors of Au nanowires is indispensible. Despite the increasing accessibility of performing direct mechanical testing experiments on nanowires by in-situ transmission electron microscopy (TEM), such pivotal information is largely lacking. Viable alternatives to approach these issues are urgently required
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