• 文献标题:   Phenomenological multiscale finite element for single layer graphene
  • 文献类型:   Article
  • 作  者:   THEODOSIOU TC, GALIOTIS C, SARAVANOS DA
  • 作者关键词:   graphene, molecular mechanic, multiscale, finite element analysi
  • 出版物名称:   COMPUTATIONAL MATERIALS SCIENCE
  • ISSN:   0927-0256 EI 1879-0801
  • 通讯作者地址:   Univ Patras
  • 被引频次:   1
  • DOI:   10.1016/j.commatsci.2016.01.006
  • 出版年:   2016

▎ 摘  要

A novel multiscale finite element is developed for the prediction of single layer graphene mechanical response. The introduced model implements a coarse-grained multiscale approach and targets computational efficiency via dimensionality reduction. Recovery of the full atomistic configuration is also possible. The element employs a set of molecular mechanics based finite elements previously developed for the prediction of the elastic response and fracture of graphene at atomistic level simulations. The development of a simple multilevel finite element is described and predictions are validated against theoretical and experimental data. Results appear to be in a very good agreement. (C) 2016 Elsevier B.V. All rights reserved.