Molecular dynamics and quantum mechanics investigation on mechanic-electric behaviors of nanotubes

作者：Guo WL^*; Guo YF; Wang LF

来源：International Journal of Nonlinear Sciences and Numerical Simulation, 2002, 3(3-4): 469-472.

• molecular dynamics
• quantum mechanics
• carbon nanotube
• cyclic behavior
• coupled effect
• mechanical property
• electronic property

Single- and multi-wall carbon nanotubes (CNTs) have been found to have wide application in nano-devices and material technology and their behaviors have been intensively studied numerically and experimentally[1,2]. However, the coupled effects of mechanics and electronics and the cyclic behavior of nanotubes which are most important in their application have hardly been investigated. By molecular dynamic (MID) simulation as well as quantum mechanic (QM) study, the coupled effect between mechanical behavior and electronic property are studied extensively.

• 出版日期2002
• 单位南京航空航天大学