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Molecular Dynamics Analysis of the Instability for a Nano-Scale Liquid Thread

Chun-Lang Yeh 1
Corresponding Author. Department of Aeronautical Engineering, National Formosa University, Huwei, Yunlin 632, Taiwan, R.O.C., Tel. No.: 886-5-6315527, Fax No.: 886-5-6312415, E-mail:clyeh@nfu.edu.tw

Computer Modeling in Engineering & Sciences 2009, 50(3), 253-284. https://doi.org/10.3970/cmes.2009.050.253

Abstract

This paper investigates the instability of a liquid thread by molecular dynamics (MD) simulation. The influences of liquid thread radius, fundamental cell length, and temperature are discussed. Snapshots of molecules, number of liquid particles formed, and density field are analyzed. Two linear stability criteria, namely Rayleigh's stability criterion and Kim's stability criterion, are accessed for their validity in molecular scale. It is found that a liquid thread is more unstable and produces more liquid particles in the fundamental cell when it is thinner or at a higher temperature. In addition, a liquid thread with a longer fundamental cell length is also more unstable and produces more liquid particles in the fundamental cell, but it evaporates slower. The trends of linear stability theories agree with MD simulation results. However, Rayleigh's stability criterion overpredicts stable domain as compared to the MD simulation results. Kim's stability criterion gives more accurate predictions but overpredicts the stable domain at a higher temperature. Finally, a liquid thread with a higher time averaged density uniformity factor,[`(fr)] , is more unstable and produces more liquid particles in the fundamental cell.

Keywords

Nano-Scale Liquid Thread, Molecular Dynamics Simulation, Rayleigh's stability criterion, Kim's stability criterion

Cite This Article

Yeh, C. (2009). Molecular Dynamics Analysis of the Instability for a Nano-Scale Liquid Thread. CMES-Computer Modeling in Engineering & Sciences, 50(3), 253–284.



This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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