[1]王金剑,王寅,朱小蕾,等.纳米粒子在具有温度梯度的碳纳米管上运动模式的研究[J].南京师大学报(自然科学版),2012,35(03):68-73.
　Wang Jinjian,Wang Yin,Zhu Xiaolei.A Study on Motion Modes of Nanoparticles Supported on Carbon Nanotubes With Temperature Gradient[J].Journal of Nanjing Normal University(Natural Science Edition),2012,35(03):68-73.
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纳米粒子在具有温度梯度的碳纳米管上运动模式的研究()
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《南京师大学报（自然科学版）》[ISSN:1001-4616/CN:32-1239/N]

卷:
第35卷
期数:
2012年03期
页码:
68-73
栏目:
化学
出版日期:
2012-09-20

文章信息/Info

Title:
A Study on Motion Modes of Nanoparticles Supported on Carbon Nanotubes With Temperature Gradient
作者:
王金剑;王寅;朱小蕾;
南京工业大学化学化工学院，材料化学工程国家重点实验室，江苏南京210009
Author(s):
Wang Jinjian; Wang Yin; Zhu Xiaolei
State Key Laboratory of Materials-Oriented Chemical Engineering,College of Chemistry and Chemical Engineering, Nanjing University of Technology,Nanjing 210009,China
关键词:
纳米粒子; 碳纳米管; 分子动力学模拟; 温度梯度
Keywords:
nanoparticles; carbon nanotubes; molecular dynamics simulation; temperature gradient
分类号:
TB383.1
摘要:
采用分子动力学( MD) 模拟的方法，使用Born-Mayer-Huggins 与Lennard-Jones 相互作用势函数，研究 KI 纳米粒子负载在具有一定温度梯度的碳纳米管外壁上的运动特征． 模拟结果表明，在纳米粒子由碳管高温端向低温端运动的过程中有两种模式． 通过KI 纳米粒子在具有温度梯度的碳管上的轨迹分析，说明了这些运动模式与碳纳米管的手性、管径和温度梯度的大小密切相关． 通过KI 纳米粒子在具有温度梯度的碳管上的受力分析，解释了KI 纳米粒子在具有温度梯度的碳管上采取特殊模式运动的原因． 本文的工作对于设计纳米尺度的马达有一定的指导意义．
Abstract:
Molecular dynamics ( MD) simulations are carried out with Born-Mayer-Huggins and Lennard-Jones interaction potentials． We investigate the motion characteristics of KI nanoparticles attached on the outside of carbon nanotubes ( CNTs) with temperature gradient ( T) ． The results demonstrate that there are two kinds of motion modes during KI nanoparticles move from the hot zone to the cold zone of the CNTs． Through the analysis of the trajectory of KI nanoparticles supported on the CNTs subject to temperature gradient，we find the shape of the moving route are affected by the chirality，diameter，and temperature gradient of CNT． The analysis of the force added on KI nanoparticles supported on the CNTs with temperature gradient can account for the relationship between the motion modes of KI nanoparticles and the chirality of CNT． The results of this article may be instructive in designing of novel nanoscale motors．

参考文献/References:

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备注/Memo

备注/Memo:
基金项目: 江苏省科技厅自然科学基金( BK2008372) 、国家自然科学基金( 20706029，20876073) ．通讯联系人: 朱小蕾，教授，博士生导师，研究方向: 分子模拟． E-mail: xlzhu@ njut． edu． cn
更新日期/Last Update: 2013-03-11