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
- Author
- 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
- 10.7735/ksmte.2015.24.4.421
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MECHANICAL ENGINEERING(기계공학부) > Articles
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