| 碳纳米管与石墨基底间摩擦耗散的分子动力学模拟研究 | |
| 李瑞 ; 胡元中 ; 王慧 ; LI Rui ; HU Yuan-zhong ; WANG Hui | |
| 2010-05-13 ; 2010-05-13 | |
| 关键词 | 碳纳米管 分子动力学 摩擦 能量耗散 carbon nanotube,molecular dynamics simulation,friction,energy dissipation TB383.1 |
| 其他题名 | Molecular Dynamics Simulation of Friction and Energy Dissipation between Carbon Nanotube and Graphite Substrate |
| 中文摘要 | 采用分子动力学模拟方法研究了公度、不公度2种情况下碳纳米管在石墨基底上运动的摩擦机制与能量耗散,计算中先使碳纳米管在石墨基底上弛豫平衡,而后施加持续500 fs的固定外力,撤去外力后碳纳米管在基底上减速至相对基底静止.结果表明:在公度条件下,碳纳米管先在石墨基底上滑动,动能降低到一定值后出现翻转、滚动、滑动交替进行的现象.所受侧向力(即摩擦力)在滑动阶段呈现周期性变化,在开始滚动时摩擦力达到负向最大;在不公度条件下,碳纳米管在石墨基底上一直处于滑动状态,侧向力始终为负值;在公度情况下,侧向力对称性的破缺由碳纳米管底部原子与石墨基底原子间的法向趋近与分离引起,并由此而产生摩擦;碳纳米管与石墨基底原子间的相互作用为斥力-碰撞型,黏性摩擦造成了能量耗散.; Friction and energy dissipation in commensurate and incommensurate contacts between SWCNT(10,10) and graphite substrate were investigated using molecular dynamics simulations.The SWCNT(10,10) was first relaxed to the equilibrium state,then a force was applied along the lateral direction for a period of time to set the nanotube into motion.After the applied force being removed,the carbon nanotube moved in relative to the substrate in decelerating speed until it came to rest.In commensuration case,firstly carbon nanotube slides on graphite,then switches between sliding and rolling due to the periodic change of atomic configuration during the motion.Lateral force on carbon nanotube also revealed periodic nature during sliding period.In incommensurate case,SWCNT(10,10) slided on graphite during the whole process,and lateral force was opposite to the motion.The study on a pair of interacting atoms in relative motion indicates that approach-separation in vertical direction between atoms of carbon nanotube and graphite leads to a broken of symmetry in lateral force,which may relate to the origin of friction.In commensurate and incommensurate case,interacting forces between carbon nanotube and graphite are both repulsive,and atomic collisions resulted in energy dissipation in the cases under study.Friction-velocity curves of SWCNT(10,10) show linear distribution,which confirms that viscous dissipation dominanted the dynamics process. |
| 语种 | 中文 ; 中文 |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/30928]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | 李瑞,胡元中,王慧,等. 碳纳米管与石墨基底间摩擦耗散的分子动力学模拟研究[J],2010, 2010. |
| APA | 李瑞,胡元中,王慧,LI Rui,HU Yuan-zhong,&WANG Hui.(2010).碳纳米管与石墨基底间摩擦耗散的分子动力学模拟研究.. |
| MLA | 李瑞,et al."碳纳米管与石墨基底间摩擦耗散的分子动力学模拟研究".(2010). |
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