• 文献标题:   Molecular dynamics study of temperature behavior in a graphene nanoribbon
  • 文献类型:   Article
  • 作  者:   WANG XQ
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Univ Georgia
  • 被引频次:   6
  • DOI:   10.1016/j.cplett.2013.11.051
  • 出版年:   2014

▎ 摘  要

Unlike an independent variable in classical continuum mechanics, temperature at molecular dynamics simulation is perceived as a spatiotemporal averaged quantity from the velocity field of atoms in system of interest. Following this definition, an intriguing correlation between displacement and temperature in graphene nanoribbon under impulsive loading has been captured at the early stage of simulation to demonstrate that temperature variation along a specific direction behaves like a wave motion, while at the end of simulation temperature field reaches to a steady state like a classical diffusion equation of temperature. This riveting phenomenon offers insights into the thermal-mechanical coupling phenomena of nanodevices. (C) 2013 Elsevier B.V. All rights reserved.