MOLECULAR DYNAMICS SIMULATION RESULTS FOR BUCKLING OF DOUBLE-WALLED CARBON NANOTUBES WITH SMALL ASPECT RATIOS

摘要：

Researchers using molecular dynamics simulations for buckling analysis of double walled carbon nanotubes (DWCNTs) have furnished somewhat different results, especially for DWCNTs with small aspect ratios (L/Din <10 where L is the length and Din the inner tube diameter). In the development of continuum models for buckling of DWCNTs that has van der Waals interaction between walls, it is necessary to have benchmark molecular dynamics (MD) results for calibration. This paper aims to review the existing MD buckling results for DWCNTs with small aspect ratios and to provide an additional comprehensive set of results for benchmarking purpose. For the latter objective, molecular dynamics simulations are conducted on nine sets of DWCNTs of different lengths at 1 K and 300 K. All the DWCNTs chosen for the MD simulation have an inner tube with chiral indices (5, 5) and an outer tube with chiral indices (10, 10). For static buckling analysis using MD simulations, the displacement rate have to be small enough say 0.005 A/ps respectively, since these parameters influence the critical strain/load significantly as will be shown herein.

关键词： Double-walled carbon nanotubes molecular dynamics axial buckling critical load, critical strain incremental displacement displacement rate benchmark results

作者: A.N.R.Chowdhury C.M.Wang

作者单位: Department of Civil and Environmental Engineering, National University of Singapore, Singapore

会议类型: 国际会议

会议名称: The IJSSD Symposium 2012 on Progress in Structural Stability and Dynamics(2012国际结构稳定与动力学进展会议)

会议地点: 南京

会议语种:英文

页码: 123-132

在线出版日期: 2012-04-14（万方平台首次上网日期，不代表论文的发表时间）