Evaluation the vibrational behavior of carbon nanotubes in different sizes and chiralities and argon flows at supersonic velocity using molecular dynamics simulation

被引:6
|
作者
Li, Yun-Xiang [1 ]
Hekmatifar, Maboud [2 ]
Sun, Yu-Liang [3 ]
Alizadeh, As'ad [4 ,5 ]
Aly, Ayman A. [6 ]
Toghraie, Davood [2 ]
Baleanu, Dumitru [7 ,8 ,9 ]
Sabetvand, Roozbeh [10 ]
机构
[1] Hunan City Univ, Coll Sci, Yiyang 413000, Peoples R China
[2] Islamic Azad Univ, Dept Mech Engn, Khomeinishahr Branch, Khomeinishahr, Iran
[3] Huzhou Univ, Sch Sci, Huzhou 313000, Peoples R China
[4] Urmia Univ, Dept Mech Engn, Orumiyeh, Iran
[5] Univ Zakho, Coll Engn, Dept Mech Engn, Zakho, Iraq
[6] Taif Univ, Coll Engn, Dept Mech Engn, POB 11099, At Taif 21944, Saudi Arabia
[7] Cankaya Univ, Fac Arts & Sci, Dept Math, Ankara, Turkey
[8] Inst Space Sci, Magurele, Romania
[9] China Med Univ, China Med Univ Hosp, Dept Med Res, Taichung, Taiwan
[10] Amirkabir Univ Technol, Fac Condensed Matter Phys, Dept Energy Engn & Phys, Tehran, Iran
关键词
Carbon Nanotubes; Molecular Dynamics Simulation; Velocity; Temperature; Pressure; Argon;
D O I
10.1016/j.molliq.2021.116796
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The carbon nanotubes are among the most robust materials known to main (both in terms of tensile strength and vibrational properties). This strength is derived from the covalent bonds between carbon particles. In this research, carbon nanotubes in different sizes and chiralities and argon flow at supersonic velocity are simulated with molecular dynamics simulations, and their mechanical behavior is investigated. In this study, the stability of atomic structures, the effect of temperature and pressure on carbon nanotubes' vibrational behavior, and the effect of the velocity of argon atoms (ultrasonic flow) on the vibrational behavior of carbon nanotubes were investigated. Numerically, as the temperature and pressure of the simulated samples increase, the numerical value of the oscillation amplitude decreases to 2.12 angstrom and 2.30 angstrom, respectively. Also, with increasing temperature and pressure, these structures' frequency value rises to the numerical value of 13.02 ps(-1) and 12.59 ps(-1), respectively. (C) 2021 Elsevier B.V. All rights reserved.
引用
收藏
页数:7
相关论文
共 50 条
  • [41] Study of dispersion of carbon nanotubes by Triton X-100 surfactant using molecular dynamics simulation
    S. Mahmood Fatemi
    Masumeh Foroutan
    Journal of the Iranian Chemical Society, 2015, 12 : 1905 - 1913
  • [42] Study of dispersion of carbon nanotubes by Triton X-100 surfactant using molecular dynamics simulation
    Fatemi, S. Mahmood
    Foroutan, Masumeh
    JOURNAL OF THE IRANIAN CHEMICAL SOCIETY, 2015, 12 (11) : 1905 - 1913
  • [43] Investigation of thermal behavior of graphite-supported Ag nanoclusters of different sizes using molecular dynamics simulations
    Akbarzadeh, Hamed
    Yaghoubi, Hamzeh
    Salemi, Sirous
    FLUID PHASE EQUILIBRIA, 2014, 365 : 68 - 73
  • [44] Studies on the Encapsulation of F- in Single Walled Nanotubes of Different Chiralities Using Density Functional Theory Calculations and Car-Parrinello Molecular Dynamics Simulations
    Ravinder, P.
    Kumar, R. Mahesh
    Subramanian, V.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2012, 116 (23): : 5519 - 5528
  • [45] Nanolevel friction behavior of carbon nanotube/epoxy nanocomposite coating under the effect of different temperature using molecular dynamics simulation
    Zhang, Yijia
    Bai, Tao
    COMPUTATIONAL MATERIALS SCIENCE, 2025, 248
  • [46] The molecular dynamics simulation and experimental evaluation of carbon nanotubes - Congo red drug delivery system into cancer cells
    Jagusiak, A. E.
    Piekarska, B.
    Panczyk, T.
    Laidler, P.
    FEBS JOURNAL, 2014, 281 : 644 - 644
  • [47] Water transport through (7,7) carbon nanotubes of different lengths using molecular dynamics
    Nicholls, William D.
    Borg, Matthew K.
    Lockerby, Duncan A.
    Reese, Jason M.
    MICROFLUIDICS AND NANOFLUIDICS, 2012, 12 (1-4) : 257 - 264
  • [48] Study on the interfacial contact behavior of carbon nanotubes and asphalt binders and adhesion energy of modified asphalt on aggregate surface by using molecular dynamics simulation
    Cui, Wentian
    Huang, Wenke
    Hassan, Hafiz Muhammad Zahid
    Cai, Xu
    Wu, Kuanghuai
    CONSTRUCTION AND BUILDING MATERIALS, 2022, 316
  • [49] Water transport through (7,7) carbon nanotubes of different lengths using molecular dynamics
    William D. Nicholls
    Matthew K. Borg
    Duncan A. Lockerby
    Jason M. Reese
    Microfluidics and Nanofluidics, 2012, 12 : 257 - 264
  • [50] Tribological Behavior of Poly(tetrafluoroethylene) (PTFE) and Its Composites Reinforced by Carbon Nanotubes and Graphene Sheets: Molecular Dynamics Simulation
    Xu, Qiang
    Zhang, Jie
    Hu, Yuan-Zhong
    Ma, Tian-Bao
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2022, 16 (03):