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Coupled atomistic-continuum simulation of the mechanical properties of single-layered graphene sheets
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.
CitationIn: Proceedings in Applied Mathematics & Mechanics (PAMM) Volume 19 / Issue 1 (2019-11-18) , S. e201900115 ; EISSN 1617-7061
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