Strain-rate and temperature dependent plastic yield in carbon nanotubes from ab initio calculations

被引:61
作者
Dumitrica, T [1 ]
Yakobson, BI
机构
[1] Rice Univ, Ctr Nanoscale Sci & Technol, Dept Mech Engn & Mat Sci, Houston, TX 77251 USA
[2] Rice Univ, Dept Chem, Houston, TX 77251 USA
关键词
D O I
10.1063/1.1695630
中图分类号
O59 [应用物理学];
学科分类号
摘要
Lattice yield to tension within practical time and temperatures is determined by the probability of defect formation. Its rate in nanotubes depends in turn on the transition state and activation barrier for the Stone-Wales bond rotations. Systematic ab initio computations of the barriers for the tubes of various symmetries and radii led to accurate calculation of plastic yield strain as a function of temperature and test duration. (C) 2004 American Institute of Physics.
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收藏
页码:2775 / 2777
页数:3
相关论文
共 21 条
[1]   Plastic deformations in mechanically strained single-walled carbon nanotubes [J].
Bozovic, D ;
Bockrath, M ;
Hafner, JH ;
Lieber, CM ;
Park, H ;
Tinkham, M .
PHYSICAL REVIEW B, 2003, 67 (03)
[2]   Nanotube composites - A recipe for strength [J].
Calvert, P .
NATURE, 1999, 399 (6733) :210-211
[3]   Direct mechanical measurement of the tensile strength and elastic modulus of multiwalled carbon nanotubes [J].
Demczyk, BG ;
Wang, YM ;
Cumings, J ;
Hetman, M ;
Han, W ;
Zettl, A ;
Ritchie, RO .
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2002, 334 (1-2) :173-178
[4]   Bond-breaking bifurcation states in carbon nanotube fracture [J].
Dumitrica, T ;
Belytschko, T ;
Yakobson, BI .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (21) :9485-9488
[5]  
FRISCH JM, 2001, GAUSSIAN 98 REVISION
[6]   ENERGETICS OF DEFECTS AND DIFFUSION MECHANISMS IN GRAPHITE [J].
KAXIRAS, E ;
PANDEY, KC .
PHYSICAL REVIEW LETTERS, 1988, 61 (23) :2693-2696
[7]   C2F, BN, and C nanoshell elasticity from ab initio computations -: art. no. 235406 [J].
Kudin, KN ;
Scuseria, GE ;
Yakobson, BI .
PHYSICAL REVIEW B, 2001, 64 (23)
[8]   Brittle and ductile behavior in carbon nanotubes [J].
Nardelli, MB ;
Yakobson, BI ;
Bernholc, J .
PHYSICAL REVIEW LETTERS, 1998, 81 (21) :4656-4659
[9]   Mechanism of strain release in carbon nanotubes [J].
Nardelli, MB ;
Yakobson, BI ;
Bernholc, J .
PHYSICAL REVIEW B, 1998, 57 (08) :R4277-R4280
[10]  
PENG CY, 1993, ISR J CHEM, V33, P449