Prediction of Young's modulus of graphene sheets and carbon nanotubes using nanoscale continuum mechanics approach

被引:236
作者
Shokrieh, Mahmood M. [1 ]
Rafiee, Roham [1 ]
机构
[1] Iran Univ Sci & Technol, Composites Res Lab, Dept Mech Engn, Tehran 1684613114, Iran
关键词
Nanomaterials; Mechanics; Atomic structure; ELASTIC PROPERTIES; MOLECULAR-DYNAMICS; SHEAR MODULI; MODEL; SIMULATION;
D O I
10.1016/j.matdes.2009.07.058
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Analytical formulations are presented to predict the elastic moduli of graphene sheets and carbon nanotubes using a linkage between lattice molecular structure and equivalent discrete frame structure. The obtained results for a graphene sheet show an isotropic behavior, in contrast to limited molecular dynamic simulations. Young's modulus of CNT represents a high dependency of stiffness on tube thickness, while dependency on tube diameter is more tangible for smaller tube diameters. The presented closed-form solution provides an insight to evaluate finite element models constructed by beam elements. The results are in a good agreement with published data and experimental results. (C) 2009 Elsevier Ltd. All rights reserved.
引用
收藏
页码:790 / 795
页数:6
相关论文
共 46 条
[1]   Molecular dynamics (MD) simulations of the dependence of C-C bond lengths and bond angles on the tensile strain in single-wall carbon nanotubes (SWCNT) [J].
Agrawal, Paras M. ;
Sudalayandi, B. S. ;
Raff, L. M. ;
Komanduri, R. .
COMPUTATIONAL MATERIALS SCIENCE, 2008, 41 (04) :450-456
[2]  
ANSYS Inc, 2003, THEOR MAN
[3]   Finite crystal elasticity of carbon nanotubes based on the exponential Cauchy-Born rule [J].
Arroyo, M ;
Belytschko, T .
PHYSICAL REVIEW B, 2004, 69 (11)
[4]   Size-dependent elastic properties of a single-walled carbon nanotube via a molecular mechanics model [J].
Chang, TC ;
Gao, HJ .
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2003, 51 (06) :1059-1074
[5]   A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES [J].
CORNELL, WD ;
CIEPLAK, P ;
BAYLY, CI ;
GOULD, IR ;
MERZ, KM ;
FERGUSON, DM ;
SPELLMEYER, DC ;
FOX, T ;
CALDWELL, JW ;
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (19) :5179-5197
[6]   Multiscale modeling for polymer systems of industrial interest [J].
Fermeglia, Maurizio ;
Pricl, Sabrina .
PROGRESS IN ORGANIC COATINGS, 2007, 58 (2-3) :187-199
[7]   Finite deformation continuum model for single-walled carbon nanotubes [J].
Gao, XL ;
Li, K .
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES, 2003, 40 (26) :7329-7337
[8]   Computational materials: Multi-scale modeling and simulation of nanostructured materials [J].
Gates, TS ;
Odegard, GM ;
Frankland, SJV ;
Clancy, TC .
COMPOSITES SCIENCE AND TECHNOLOGY, 2005, 65 (15-16) :2416-2434
[9]  
Gelin B.R., 1994, Molecular Modeling of Polymer Structures and Properties
[10]   Elastic properties of single-wall nanotubes [J].
Hernández, E ;
Goze, C ;
Bernier, P ;
Rubio, A .
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1999, 68 (03) :287-292