Size Dependent Mechanical Properties of Graphene Nanoribbons: Molecular Dynamics Simulation

被引：5

作者：

Sun, Y. J. ^{[1
]}

Ma, F. ^{[1
]}

Xu, K. W. ^{[2
]}

机构：

[1] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Shaanxi, Peoples R China

[2] Xian Univ Arts & Sci, Dept Phys & Opt Elect Engn, Xian 710065, Shaanxi, Peoples R China

来源：

MATERIALS PERFORMANCE, MODELING AND SIMULATION | 2013年 / 749卷

基金：

中国国家自然科学基金;

关键词：

Graphene nanoribbons; Fracture stress; Radial distribution function; Lattice shearing; ELASTIC PROPERTIES; HYDROCARBONS;

D O I：

10.4028/www.scientific.net/MSF.749.456

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Strain engineering is an effective method to tune the band gap and electronic transport properties of graphene nanoribbons (GNRs). However, strain/stress field may promote the system deviating from the equilibrium state, and the mechanical stability will become one of the key issues for reliable services of relevant devices. In this paper, the size-dependent mechanical properties of GNRs under tensile loading were studied by Molecular Dynamics (MD) simulations. The results indicate that the yield stress of both zigzag and armchair GNRs decreases with the ribbon length changing from 240 angstrom to 30 angstrom. However, the ductility of armchair GNRs was significantly improved. Radial Distribution Function (RDF) was employed to analyze the evolution of atomic configurations. It showed that lattice shearing is the main mechanism for the ductility of armchair GNRs.

引用

页码：456 / +

页数：3

共 17 条

[1] A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].

Brenner, DW ;

Shenderova, OA ;

Harrison, JA ;

Stuart, SJ ;

Ni, B ;

Sinnott, SB .

JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802

[2] Nonlinear Elasticity of Monolayer Graphene [J].

Cadelano, Emiliano ;

Palla, Pier Luca ;

Giordano, Stefano ;

Colombo, Luciano .

PHYSICAL REVIEW LETTERS, 2009, 102 (23)

[3] Synthesis of Graphene and Its Applications: A Review [J].

Choi, Wonbong ;

Lahiri, Indranil ;

Seelaboyina, Raghunandan ;

Kang, Yong Soo .

CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 2010, 35 (01) :52-71

[4] Gap opening in graphene by shear strain [J].

Cocco, Giulio ;

Cadelano, Emiliano ;

Colombo, Luciano .

PHYSICAL REVIEW B, 2010, 81 (24)

[5] Two-dimensional analytical threshold voltage model of nanoscale fully depleted SOI MOSFET with electrically induced S/D extensions [J].

Kumar, MJ ;

Orouji, AA .

IEEE TRANSACTIONS ON ELECTRON DEVICES, 2005, 52 (07) :1568-1575

[6] Measurement of the elastic properties and intrinsic strength of monolayer graphene [J].

Lee, Changgu ;

Wei, Xiaoding ;

Kysar, Jeffrey W. ;

Hone, James .

SCIENCE, 2008, 321 (5887) :385-388

[7] Formation of Bandgap and Subbands in Graphene Nanomeshes with Sub-10 nm Ribbon Width Fabricated via Nanoimprint Lithography [J].

Liang, Xiaogan ;

Jung, Yeon-Sik ;

Wu, Shiwei ;

Ismach, Ariel ;

Olynick, Deirdre L. ;

Cabrini, Stefano ;

Bokor, Jeffrey .

NANO LETTERS, 2010, 10 (07) :2454-2460

[8] 100-GHz Transistors from Wafer-Scale Epitaxial Graphene [J].

Lin, Y. -M. ;

Dimitrakopoulos, C. ;

Jenkins, K. A. ;

Farmer, D. B. ;

Chiu, H. -Y. ;

Grill, A. ;

Avouris, Ph. .

SCIENCE, 2010, 327 (5966) :662-662

[9] Reversible phase transformation in graphene nano-ribbons: Lattice shearing based mechanism [J].

Ma, F. ;

Sun, Y. J. ;

Ma, D. Y. ;

Xu, K. W. ;

Chu, Paul K. .

ACTA MATERIALIA, 2011, 59 (17) :6783-6789

[10] Electric field effect in atomically thin carbon films [J].

Novoselov, KS ;

Geim, AK ;

Morozov, SV ;

Jiang, D ;

Zhang, Y ;

Dubonos, SV ;

Grigorieva, IV ;

Firsov, AA .

SCIENCE, 2004, 306 (5696) :666-669

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