Abstract
AbstractThe 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.
Highlights
Due to the exceptional features of graphene sheets, a lot of research projects are focused on them
Coupled atomistic-continuum simulation of graphene sheets is essential for studying their mechanical properties
The atomistic domain is described by the atomic-scale finite element method (AFEM) [3,6]
Summary
Due to the exceptional features of graphene sheets, a lot of research projects are focused on them. Numerical simulations are necessary for studying their mechanical properties. Coupled atomistic-continuum simulation of graphene sheets is essential for studying their mechanical properties. While effects on the atomic scale can be described explicitly with molecular mechanical models on some selected positions, continuum mechanical models enable the efficient calculation of large and technical relevant structures. A coupled atomistic-continuum model is used to simulate the mechanical behavior of a single-layered graphene sheet. The atomistic domain is described by the atomic-scale finite element method (AFEM) [3,6]. The mechanical properties of the continuum domain are investigated by using a finite element based on a nonlocal continuum shell model with a high order strain gradient. Between the atomistic and continuum domain, transitional finite elements are applied for smoothing the transition
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
