Molecular Dynamics Simulations of Sound Wave Propagation in a Gas and Thermo-Acoustic Effects on a Carbon Nanotube

Q1 Mathematics

Journal of Computational Acoustics Pub Date : 2015-12-01 DOI:10.1142/S0218396X15400123

Ayub, A. Zander, C. Howard, David M. Huang, B. Cazzolato

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引用次数: 9

Abstract

Molecular dynamics (MD) simulations have been performed to study sound wave propagation in a simple monatomic gas (argon) and the thermo-acoustic effects on a single walled carbon nanotube (CNT). The objective of this study was to understand the acoustic behavior of CNTs in the presence of acoustic waves propagating in gaseous media. A plane sound wave was generated within a rectangular domain by oscillating a solid wall comprising Lennard-Jones (LJ) atoms with the same intermolecular potential as the gas molecules. A CNT was aligned parallel to the direction of the flow at the wall at the opposite end of the domain. Interatomic interactions in the CNT were modeled using the REBO potential. The behavior of the sound wave propagation in argon gas without the CNT was validated by comparison with a previous study. The simulation results show that the thermo-acoustic behavior of CNTs can be simulated accurately using MD and that large-scale MD can be performed in the ultrasonic frequency range. This investigation will contribute to an improved understanding of the acoustic absorption mechanism of these nanoscopic fibers.

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气体中声波传播的分子动力学模拟及碳纳米管的热声效应

采用分子动力学方法研究了声波在简单单原子气体(氩气)中的传播和单壁碳纳米管(CNT)上的热声效应。本研究的目的是了解在声波在气体介质中传播时碳纳米管的声学行为。在矩形区域内，通过振荡由与气体分子具有相同分子间电位的Lennard-Jones (LJ)原子组成的固体壁，产生平面声波。碳纳米管在畴的另一端与壁面的流动方向平行。碳纳米管中的原子间相互作用使用REBO电位进行建模。通过与前人研究的对比，验证了没有碳纳米管的氩气中声波的传播行为。仿真结果表明，在超声频率范围内，可以较准确地模拟CNTs的热声行为。本研究将有助于进一步了解这些纳米纤维的吸声机理。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Computational Acoustics 物理-声学

CiteScore

3.90

自引率

0.00%

发文量

审稿时长

4.5 months

期刊介绍： Currently known as Journal of Theoretical and Computational Acoustics (JTCA).The aim of this journal is to provide an international forum for the dissemination of the state-of-the-art information in the field of Computational Acoustics. Topics covered by this journal include research and tutorial contributions in OCEAN ACOUSTICS (a subject of active research in relation with sonar detection and the design of noiseless ships), SEISMO-ACOUSTICS (of concern to earthquake science and engineering, and also to those doing underground prospection like searching for petroleum), AEROACOUSTICS (which includes the analysis of noise created by aircraft), COMPUTATIONAL METHODS, and SUPERCOMPUTING. In addition to the traditional issues and problems in computational methods, the journal also considers theoretical research acoustics papers which lead to large-scale scientific computations. The journal strives to be flexible in the type of high quality papers it publishes and their format. Equally desirable are Full papers, which should be complete and relatively self-contained original contributions with an introduction that can be understood by the broad computational acoustics community. Both rigorous and heuristic styles are acceptable. Of particular interest are papers about new areas of research in which other than strictly computational arguments may be important in establishing a basis for further developments. Tutorial review papers, covering some of the important issues in Computational Mathematical Methods, Scientific Computing, and their applications. Short notes, which present specific new results and techniques in a brief communication. The journal will occasionally publish significant contributions which are larger than the usual format for regular papers. Special issues which report results of high quality workshops in related areas and monographs of significant contributions in the Series of Computational Acoustics will also be published.