Aufsatz
Coupled atomistic-continuum simulation of the mechanical properties of single-layered graphene sheets
Abstract
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.
Citation
@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},
journal={Proceedings in Applied Mathematics & Mechanics (PAMM)},
year={2019}
}
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3000 Zheng, Qige
3010 Wackerfuß, Jens
4000 Coupled atomistic-continuum simulation of the mechanical properties of single-layered graphene sheets / Zheng, Qige
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4170
5550 {{Mehrschichtsystem}}
5550 {{Platte}}
5550 {{Schale}}
5550 {{Graphen}}
5550 {{Modellierung}}
7136 ##0##http://hdl.handle.net/123456789/12480
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2021-02-09T10:51:09Z 2021-02-09T10:51:09Z 2019-11-18 doi:10.17170/kobra-202101223031 http://hdl.handle.net/123456789/12480 eng Namensnennung 4.0 International http://creativecommons.org/licenses/by/4.0/ 620 Coupled atomistic-continuum simulation of the mechanical properties of single-layered graphene sheets Aufsatz 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. open access Zheng, Qige Wackerfuß, Jens doi:10.1002/pamm.201900115 Mehrschichtsystem Platte Schale Graphen Modellierung publishedVersion EISSN 1617-7061 Issue 1 Proceedings in Applied Mathematics & Mechanics (PAMM) e201900115 Volume 19 false </resource>
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