Phenomenological multiscale finite element for single layer graphene

详细信息    查看全文

• 作者：T.C. Theodosiou^a ; ^{dozius@mech.upatras.gr" class="auth_mail" title="E-mail the corresponding author} ; C. Galiotis^b ; ^c ; D.A. Saravanos^a
• 关键词：Graphene ; Molecular mechanics ; Multiscale ; Finite element analysis
• 刊名：Computational Materials Science
• 出版年：2016
• 出版时间：1 April 2016
• 年：2016
• 卷：115
• 期：Complete
• 页码：125-136
• 全文大小：2439 K

文摘

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.