Nanoscale finite element models for vibrations of single-walled carbon nanotubes: atomistic versus continuum  

作　　者：R. ANSARI S. ROUHI M. ARYAYI 

机构地区：[1]Department of Mechanical Engineering, University of Guilan,Rasht 3756, Iran [2]Young Researchers Club, Langroud Branch, Islamic Azad University,Langroud 44715-1333, Iran

出　　处：《Applied Mathematics and Mechanics(English Edition)》2013年第10期1187-1200,共14页应用数学和力学（英文版）

摘　　要：By the atomistic and continuum finite element models, the free vibration behavior of single-walled carbon nanotubes （SWCNTs） is studied. In the atomistic finite element model, the bonds and atoms are modeled by the beam and point mass elements, respectively. The molecular mechanics is linked to structural mechanics to determine the elastic properties of the mentioned beam elements. In the continuum finite element approach, by neglecting the discrete nature of the atomic structure of the nanotubes, they are modeled with shell elements. By both models, the natural frequencies of SWCNTs are computed, and the effects of the geometrical parameters, the atomic structure, and the boundary conditions are investigated. The accuracy of the utilized methods is verified in comparison with molecular dynamic simulations. The molecular structural model leads to more reliable results, especially for lower aspect ratios. The present analysis provides valuable information about application of continuum models in the investigation of the mechanical behaviors of nanotubes.By the atomistic and continuum finite element models, the free vibration behavior of single-walled carbon nanotubes （SWCNTs） is studied. In the atomistic finite element model, the bonds and atoms are modeled by the beam and point mass elements, respectively. The molecular mechanics is linked to structural mechanics to determine the elastic properties of the mentioned beam elements. In the continuum finite element approach, by neglecting the discrete nature of the atomic structure of the nanotubes, they are modeled with shell elements. By both models, the natural frequencies of SWCNTs are computed, and the effects of the geometrical parameters, the atomic structure, and the boundary conditions are investigated. The accuracy of the utilized methods is verified in comparison with molecular dynamic simulations. The molecular structural model leads to more reliable results, especially for lower aspect ratios. The present analysis provides valuable information about application of continuum models in the investigation of the mechanical behaviors of nanotubes.

关 键 词：vibration single-walled carbon nanotube （SWCNT） molecular structural model continuum shell model 

分 类 号：O562[理学—原子与分子物理]