Molecular dynamics simulations on the phase transition of simple non-polar fluids under nanometre confinement

Y. Lei; Y. Leng

首页> 外文期刊>Proceedings of the Institution of Mechanical Engineers, Part N. Journal of Nanoengineering and Nanosystems >Molecular dynamics simulations on the phase transition of simple non-polar fluids under nanometre confinement

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Molecular dynamics simulations on the phase transition of simple non-polar fluids under nanometre confinement

机译：Molecular dynamics simulations on the phase transition of simple non-polar fluids under nanometre confinement

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摘要

In this paper liquid-vapour molecular dynamics simulations are performed to investigate the solvation force oscillation mechanism of a simple non-polar fluid confined between two solid surfaces. As the two surfaces approach each other to be within a few molecular layers apart, normal force oscillations between the two surfaces are observed which are very similar to those observed in surface force measurements. It is shown that the layering transition of the liquid film is an abrupt liquid-to-solid phase transition. The nucleation of the solid phase starts at the central region of the confined film that can support a finite shear stress. It is found that this phase transition behaviour does not critically depend on the contact nature between the liquid and solid walls. Furthermore, the formation of the close-packed solidified film is confinement induced, rather than pressure induced.

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来源
《Proceedings of the Institution of Mechanical Engineers, Part N. Journal of Nanoengineering and Nanosystems》 |2010年第2期|69-77|共9页
作者
Y. Lei; Y. Leng;
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作者单位

Department of Mechanical and Aerospace Engineering, The George Washington University;

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原文格式 PDF
正文语种英语
中图分类机械、仪表工业;
关键词
Molecular dynamics; Solvation force; Phase transition; Nonpolar fluid; Nanoconfinement;

Molecular dynamics simulations on the phase transition of simple non-polar fluids under nanometre confinement

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