나노스케일 분자역학을 이용한 다층 그래핀의 굽힘 탄성거동 예측

Title
나노스케일 분자역학을 이용한 다층 그래핀의 굽힘 탄성거동 예측
Other Titles
Prediction of Elastic Bending Modulus of Multi-layered Graphene Sheets Using Nanoscale Molecular Mechanics
Authors
한석영
Keywords
Molecular mechanics; Elastic bending modulus; Finite element (FE) modeling; Van der Waals Interaction; Nano scale
Issue Date
2015-08
Publisher
한국생산제조시스템학회
Citation
한국생산제조시스템학회지, v. 24, NO 4, Page. 421-427
Abstract
In this paper, a description is given of finite element method (FEM) simulations of the elastic bending modulus of multi-layered graphene sheets that were carried out to investigate the mechanical behavior of graphene sheets with different gap thicknesses through molecular mechanics theory. The interaction forces between layers with various gap thicknesses were considered based on the van der Waals interaction. A finite element (FE) model of a multi-layered rectangular graphene sheet was proposed with beam elements representing bonded interactions and spring elements representing non-bonded interactions between layers and between diagonally adjacent atoms. As a result, the average elastic bending modulus was predicted to be 1.13 TPa in the armchair direction and 1.18 TPa in the zigzag direction. The simulation results from this work are comparable to both experimental tests and numerical studies from the literature.
URI
http://koreascience.or.kr/article/ArticleFullRecord.jsp?cn=GJGGB3_2015_v24n4_421http://hdl.handle.net/20.500.11754/26898
ISSN
2283-4846; 2233-6036
DOI
http://dx.doi.org/10.7735/ksmte.2015.24.4.421
Appears in Collections:
COLLEGE OF ENGINEERING[S](공과대학) > MECHANICAL ENGINEERING(기계공학부) > Articles
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