A molecular dynamics study of the mechanical properties of graphene nanoribbon-embedded gold composites

被引：15

作者：

Chien, Shih-Kai ^{[1
]}

Yang, Yue-Tzu ^{[1
]}

Chen, Cha'o-Kuang ^{[1
]}

机构：

[1] Natl Cheng Kung Univ, Dept Mech Engn, Tainan 70101, Taiwan

来源：

NANOSCALE | 2011年 / 3卷 / 10期

关键词：

THERMAL-CONDUCTIVITY; ATOM-METHOD; METALS; SURFACES; AU;

D O I：

10.1039/c1nr10664c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics simulations were performed to investigate the mechanical properties of a single-crystal gold nanosheet and graphene nanoribbon-embedded gold (GNR/Au) composites for various embedded locations, temperatures, and lengths. The computational results show that the Young's modulus, tensile strength, and fracture strain of GNR/Au composites are much larger than those of pure gold. The mechanical properties of GNR/Au composites deteriorate drastically due to C-C bond breaking. Thermal fluctuation and an increase in length can decrease the mechanical properties of GNR/Au composites.

引用

页码：4307 / 4313

页数：7

共 30 条

[1] Solidification of gold nanoparticles in carbon nanotubes [J].

Arcidiacono, S ;

Walther, JH ;

Poulikakos, D ;

Passerone, D ;

Koumoutsakos, P .

PHYSICAL REVIEW LETTERS, 2005, 94 (10)

[2] Superior thermal conductivity of single-layer graphene [J].

Balandin, Alexander A. ;

Ghosh, Suchismita ;

Bao, Wenzhong ;

Calizo, Irene ;

Teweldebrhan, Desalegne ;

Miao, Feng ;

Lau, Chun Ning .

NANO LETTERS, 2008, 8 (03) :902-907

[3] 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

[4] Impermeable atomic membranes from graphene sheets [J].

Bunch, J. Scott ;

Verbridge, Scott S. ;

Alden, Jonathan S. ;

van der Zande, Arend M. ;

Parpia, Jeevak M. ;

Craighead, Harold G. ;

McEuen, Paul L. .

NANO LETTERS, 2008, 8 (08) :2458-2462

[5] Local elastic properties of carbon nanotubes in the presence of Stone-Wales defects [J].

Chandra, N ;

Namilae, S ;

Shet, C .

PHYSICAL REVIEW B, 2004, 69 (09)

[6] EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].

DAW, MS ;

BASKES, MI .

PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453

[7] SEMIEMPIRICAL, QUANTUM-MECHANICAL CALCULATION OF HYDROGEN EMBRITTLEMENT IN METALS [J].

DAW, MS ;

BASKES, MI .

PHYSICAL REVIEW LETTERS, 1983, 50 (17) :1285-1288

[8]

FOILES SM, 1986, PHYS REV B, V33, P7983, DOI 10.1103/PhysRevB.33.7983

[9] The rise of graphene [J].

Geim, A. K. ;

Novoselov, K. S. .

NATURE MATERIALS, 2007, 6 (03) :183-191

[10] Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits [J].

Ghosh, S. ;

Calizo, I. ;

Teweldebrhan, D. ;

Pokatilov, E. P. ;

Nika, D. L. ;

Balandin, A. A. ;

Bao, W. ;

Miao, F. ;

Lau, C. N. .

APPLIED PHYSICS LETTERS, 2008, 92 (15)

← 1 2 3 →