The purpose of this work is the multiscale modeling of a single-layered graphene sheet. The model is divided into three parts. One is an atomistic domain which is simulated with the atomic-scale finite element method (AFEM). Another is a continuum domain. In this domain, the mechanical properties are investigated by using a finite element based on a nonlocal continuum shell model with a high order strain gradient. To be exact, it is a 4-node 60-generalized degree of freedom (DOF) Mindlin–Reissner finite shell element with a second order strain gradient. In the third part, a new transitional finite element is developed for smoothing the transition between the atomistic domain and continuum domain.
@article{doi:10.17170/kobra-202101223031,
author ={Zheng, Qige and Wackerfuß, Jens},
title ={Coupled atomistic-continuum simulation of the mechanical properties of single-layered graphene sheets},
keywords ={620 and Mehrschichtsystem and Platte and Schale and Graphen and Modellierung},
copyright ={http://creativecommons.org/licenses/by/4.0/},
language ={en},
journal ={Proceedings in Applied Mathematics & Mechanics (PAMM)},
year ={2019-11-18}
}