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
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页数:7
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