Deformation behaviors of Au nanotubes under torsion by molecular dynamics simulations

Yeong Maw Hwang, Cheng Tang Pan, Ying Xu Lu, Sheng Rui Jian*, Jenh-Yih Juang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish
Article number085204
JournalAIP Advances
Issue number8
StatePublished - 1 Aug 2018

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