Molecular-dynamic investigation of buckling of double-walled carbon nanotubes under uniaxial compression

Jian Ming Lu, Yun Che Wang, Jee Gong Chang, Ming Horng Su, Chi Chuan Hwang

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7 Citations (Scopus)

Abstract

This paper studies the buckling phenomena and mechanical behavior of single-walled carbon nanotubes (SWNTs) and double-walled carbon nanotubes (DWNTs) via molecular dynamics simulations. The Tersoff interatomic C-C potential is adopted. Using a dimensionless parameter, slenderness ratio (S R, the ratio of length to diameter), we investigate the mechanical behavior of long and short nanotubes under compression through their buckling modes, total strain energy and strain energy density, as well as post-buckling. The curvatures of strain energy provide a means to measure the Young's modulus of the nanotubes. Moreover, jumps in either the strain energy or strain energy density indicate identical mechanical buckling strains, and are studied in relation to buckling modes. In our simulations, a transition time is observed for short nanotubes to reach stable vase-like buckling mode, indicating a time-dependent property of nanotubes. Furthermore, nanotubes with small S R can bear higher compressive load after their first buckling. In addition, nanotubes with same chirality exhibit roughly the same elastic modulus, regardless of their lengths, when applied compressive strains are less than 5% strain. However, long nanotubes show smaller buckling strength. Effects of temperature at 300 K on buckling strength for SWNT are also discussed in connection to our present study at 1 K.

Original languageEnglish
Article number044603
JournalJournal of the Physical Society of Japan
Volume77
Issue number4
DOIs
Publication statusPublished - 2008 Apr

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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