A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets

doi:10.1088/1674-1056/20/1/016801

Abstract For the determination of surface tension of liquid droplets by molecular dynamics simulations, the most time-consuming part is the calculation of pressure tensor in the transition layer, which makes it difficult to enhance the precision of the computation. A new method for the calculation of surface tension of liquid droplets to reduce the calculation quantity of pressure tensor in transition layer to the minimum is proposed in this paper. Two thousand particles are taken as example to show how to carry out our scheme.

Keywords: surface tension pressure tensor molecular dynamics simulation equimolar surface

Received: 27 March 2010
Revised: 26 July 2010
Accepted manuscript online:

PACS:	68.03.Cd	(Surface tension and related phenomena)
	68.35.Md	(Surface thermodynamics, surface energies)

Fund: Project supported by the National Natural Science Foundation of China (Grant No. 10772189) and the Knowledge Innovation Program of Chinese Academy of Sciences.

Cite this article:

Zhu Ru-Zeng(朱如曾) and Yan Hong(闫红) A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets 2011 Chin. Phys. B 20 016801

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A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets

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