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.

Location
Deutsche Nationalbibliothek Frankfurt am Main
Extent
Online-Ressource
Language
Englisch

Bibliographic citation
Coupled atomistic‐continuum simulation of the mechanical properties of single‐layered graphene sheets ; volume:19 ; number:1 ; year:2019 ; extent:2
Proceedings in applied mathematics and mechanics ; 19, Heft 1 (2019) (gesamt 2)

Creator
Zheng, Qige
Wackerfuß, Jens

DOI
10.1002/pamm.201900115
URN
urn:nbn:de:101:1-2022072208322597903816
Rights
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
15.08.2025, 7:30 AM CEST

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