• 文献标题:   Molecular Dynamic Simulation of the Graphene Nano-Plates
  • 文献类型:   Article
  • 作  者:   TAHMASEBIPOUR M, KHEZERLOU H
  • 作者关键词:   graphene, simulation, molecular dynamic, potential energy, kinetic energy
  • 出版物名称:   JOURNAL OF NANOELECTRONICS OPTOELECTRONICS
  • ISSN:   1555-130X EI 1555-1318
  • 通讯作者地址:   Univ Tehran
  • 被引频次:   4
  • DOI:   10.1166/jno.2014.1646
  • 出版年:   2014

▎ 摘  要

Graphene plates are widely used in petroleum, automotive, aerospace, and electrical power industries thanks to favorable mechanical, electrical, and thermal properties. The synthesis of graphene plates for the empirical analysis of graphene atoms' behavior entails spending a great deal of time and cost, whereas the behavior of the atoms can be investigated and analyzed via software using the molecular dynamics simulation method. According to simulation results, the parameters affecting graphene behavior may be optimized, thus preventing undue time and cost being spent on trial and error experimentation. Hence, the behavior of graphene plates was analyzed using molecular dynamics simulation. The effect of exerting force on the resulting stress, atoms' temperature, potential and kinetic energy of graphene atoms and the total energy of the graphene plate was examined.