Molecular dynamics simulation on the failure mechanism of Y-junction single-walled carbon nanotubes

被引：1
|
作者：
Tian, Lili [1 ]
Guo, Xu [1 ]
机构：
[1] Dalian Univ Technol, State Key Lab Struct Anal Ind Equipment, Dept Engn Mech, Coll Adv Sci & Technol, Dalian 116024, Peoples R China
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2013年 / 79卷
关键词：
Y-junction carbon nanotubes; Mechanical properties; Defect evolution; Temperature effects; YOUNGS MODULUS; DEFORMATION; BREAKING; DEFECTS; GROWTH;
D O I：
10.1016/j.commatsci.2013.06.035
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Molecular dynamics simulation based on the second generation Brenner potential has been employed to investigate the mechanical properties and failure mechanism of Y-junction carbon nanotubes (Y-CNTs) under tensile loading. It was found that due to the existence of junction heptagonal defects, shear bands induced by the external load may expand outward in the form of spiral and promote the formation of Stone-Wales transformation, which therefore constitutes an effective way to dissipate the energy. We also study the temperature effect on the mechanical properties of Y-CNTs. Our simulation results provide useful insights to the design and fabrication of Y-CNTs based nanostructures and devices. (C) 2013 Elsevier B. V. All rights reserved.
引用
收藏
页码：362 / 367
页数：6
相关论文
共 50 条
  • [1] Molecular dynamics simulation of heat pulse propagation in y-junction carbon nanotubes
    Cummings, A
    Osman, M
    Srivastava, D
    Menon, M
    ULTRAFAST PHENOMENA IN SEMICONDUCTORS AND NANOSTRUCTURE MATERIALS IX, 2005, 5725 : 14 - 24
  • [2] Structural Evolution of Single-Walled Carbon Nanotubes: Molecular Dynamics Simulation
    Van Dung M.
    Defect and Diffusion Forum, 2022, 419 : 141 - 146
  • [3] Molecular dynamics simulation of hydrogen storage in single-walled carbon nanotubes
    Maruyama, Shigeo
    Kimura, Tatsuto
    American Society of Mechanical Engineers, Heat Transfer Division, (Publication) HTD, 2000, 366 : 405 - 409
  • [4] Molecular Dynamics Simulation on Thermal Conductivity of Single-Walled Carbon Nanotubes
    Tang, Kai
    Zhu, Fulong
    Chen, Youkai
    Li, Ying
    Liao, Hengyou
    Liu, Sheng
    2013 14TH INTERNATIONAL CONFERENCE ON ELECTRONIC PACKAGING TECHNOLOGY (ICEPT), 2013, : 583 - +
  • [5] Growth mechanism of Y-junction carbon nanotubes
    Zhu, HW
    Ci, LJ
    Xu, CL
    Liang, J
    Wu, DH
    DIAMOND AND RELATED MATERIALS, 2002, 11 (07) : 1349 - 1352
  • [6] Molecular dynamics study of hydrogen adsorption in Y-junction carbon nanotubes
    Wu, HL
    Qiu, HS
    Hao, C
    Tang, ZN
    Han, K
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 684 (1-3): : 75 - 80
  • [7] Molecular Dynamics Simulation of Hydrophobin Proteins on the Surface of Single-walled Carbon Nanotubes
    Liu Ying-Zhe
    Cai Wen-Sheng
    Shao Xue-Guang
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2012, 33 (09): : 2013 - 2018
  • [8] Study on cap closure mechanism of single-walled carbon nanotubes by molecular dynamics
    Han, SS
    Lee, HM
    MATERIALS TRANSACTIONS, 2004, 45 (05) : 1437 - 1441
  • [9] Molecular Dynamics Simulation of Silver Bromide Nanostructures in Single-Walled Carbon Nanotubes
    Gotlib, I. Yu
    Ivanov-Schitz, A. K.
    Murin, I. V.
    Petrov, A. V.
    Zakalyukin, R. M.
    PHYSICS OF THE SOLID STATE, 2011, 53 (11) : 2375 - 2384
  • [10] Simulation of Young's modulus of single-walled carbon nanotubes by molecular dynamics
    Bao, WX
    Zhu, CC
    Cui, WZ
    PHYSICA B-CONDENSED MATTER, 2004, 352 (1-4) : 156 - 163
12345