Mechanical properties of connected carbon nanorings via molecular dynamics simulation

被引:71
作者
Chen, N [1 ]
Lusk, MT
van Duin, ACT
Goddard, WA
机构
[1] Colorado Sch Mines, Golden, CO 80401 USA
[2] CALTECH, Pasadena, CA 91125 USA
关键词
D O I
10.1103/PhysRevB.72.085416
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Stable, carbon nanotori can be constructed from nanotubes. In theory, such rings could be used to fabricate networks that are extremely flexible and offer a high strength-to-density ratio. As a first step towards realizing such nanochains and nanomaile, the mechanical properties of connected carbon nanorings were investigated via molecular dynamics simulation. The Young's modulus, extensibility and tensile stength of nanorings were estimated under conditions that idealize the constraints of nanochains and nanomaile. The results indicate nanorings are stable under large tensile deformation. The calculated Young's modulus of nanorings was found increase with deformation from 19.43 GPa to 121.94 GPa (without any side constraints) and from 124.98 GPa to 1.56 TPa (with side constraints). The tensile strength of unconstrained and constrained nanorings is estimated to be 5.72 and 8.522 GPa, respectively. The maximum strain is approximately 39% (nanochains) and 25.2% (nanomaile), and these deformations are completely reversible.
引用
收藏
页数:9
相关论文
共 56 条
[1]   Carbon nanotubes: nanomechanics, manipulation, and electronic devices [J].
Avouris, P ;
Hertel, T ;
Martel, R ;
Schmidt, T ;
Shea, HR ;
Walkup, RE .
APPLIED SURFACE SCIENCE, 1999, 141 (3-4) :201-209
[2]  
BAUCCIO M, 1994, SM ENG MAT REFERENCE, P15502
[3]   Bonding and energy dissipation in a nanohook assembly -: art. no. 165503 [J].
Berber, S ;
Kwon, YK ;
Tománek, D .
PHYSICAL REVIEW LETTERS, 2003, 91 (16)
[4]   EMPIRICAL POTENTIAL FOR HYDROCARBONS FOR USE IN SIMULATING THE CHEMICAL VAPOR-DEPOSITION OF DIAMOND FILMS [J].
BRENNER, DW .
PHYSICAL REVIEW B, 1990, 42 (15) :9458-9471
[5]   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
[6]   MOLECULAR-DYNAMICS SIMULATIONS OF THE NANOMETER-SCALE MECHANICAL-PROPERTIES OF COMPRESSED BUCKMINSTERFULLERENE [J].
BRENNER, DW ;
HARRISON, JA ;
WHITE, CT ;
COLTON, RJ .
THIN SOLID FILMS, 1991, 206 (1-2) :220-223
[7]   Studies of fullerenes and carbon nanotubes by an extended bond order potential [J].
Che, JW ;
Cagin, T ;
Goddard, WA .
NANOTECHNOLOGY, 1999, 10 (03) :263-268
[8]   Pure carbon nanoscale devices: Nanotube heterojunctions [J].
Chico, L ;
Crespi, VH ;
Benedict, LX ;
Louie, SG ;
Cohen, ML .
PHYSICAL REVIEW LETTERS, 1996, 76 (06) :971-974
[9]   Elastic properties of single-walled carbon nanotubes in compression [J].
Cornwell, CF ;
Wille, LT .
SOLID STATE COMMUNICATIONS, 1997, 101 (08) :555-558
[10]   Super-tough carbon-nanotube fibres -: These extraordinary composite fibres can be woven into electronic textiles. [J].
Dalton, AB ;
Collins, S ;
Muñoz, E ;
Razal, JM ;
Ebron, VH ;
Ferraris, JP ;
Coleman, JN ;
Kim, BG ;
Baughman, RH .
NATURE, 2003, 423 (6941) :703-703