Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces

A Molecular Dynamics (MD) technique is proposed to simulate the motion of water nanodroplets on wavelike nanorough surfaces and the contact angle is evaluated. Results obtained through MD simulations, in agreement with the experimental evidence, suggest that the contact angle can be increased by fol...

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Autores principales:	Claudiu Valentin Suciu, Hozumi Goto, Naoko Gouya
Formato:	article
Lenguaje:	EN
Publicado:	Japanese Society of Tribologists 2011
Materias:	molecular dynamics wetting wavelike nanorough surface water wenzel-cassie model Physics QC1-999 Engineering (General). Civil engineering (General) TA1-2040 Mechanical engineering and machinery TJ1-1570 Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/8a0d385922bc46ed97c9aa1982933156
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spelling	oai:doaj.org-article:8a0d385922bc46ed97c9aa19829331562021-11-05T09:26:17ZMolecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces1881-219810.2474/trol.6.19https://doaj.org/article/8a0d385922bc46ed97c9aa19829331562011-01-01T00:00:00Zhttps://www.jstage.jst.go.jp/article/trol/6/1/6_1_19/_pdf/-char/enhttps://doaj.org/toc/1881-2198A Molecular Dynamics (MD) technique is proposed to simulate the motion of water nanodroplets on wavelike nanorough surfaces and the contact angle is evaluated. Results obtained through MD simulations, in agreement with the experimental evidence, suggest that the contact angle can be increased by folding the base surface, to produce a wavelike nanoroughness. By considering the fraction of nonwetted area as a function of the ratio of true area to projected area, it becomes possible to fit the results obtained through MD simulations on a generalized Wenzel-Cassie model, even in the nanometer range. The physical meaning of such fitting technique is discussed. Results obtained are useful for the appropriate design of the hydrophobic or hydrophilic surfaces, and for the adequate design of nanorough surfaces with tribological applications.Claudiu Valentin SuciuHozumi GotoNaoko GouyaJapanese Society of Tribologistsarticlemolecular dynamicswettingwavelike nanorough surfacewaterwenzel-cassie modelPhysicsQC1-999Engineering (General). Civil engineering (General)TA1-2040Mechanical engineering and machineryTJ1-1570ChemistryQD1-999ENTribology Online, Vol 6, Iss 1, Pp 19-25 (2011)
institution	DOAJ
collection	DOAJ
language	EN
topic	molecular dynamics wetting wavelike nanorough surface water wenzel-cassie model Physics QC1-999 Engineering (General). Civil engineering (General) TA1-2040 Mechanical engineering and machinery TJ1-1570 Chemistry QD1-999
spellingShingle	molecular dynamics wetting wavelike nanorough surface water wenzel-cassie model Physics QC1-999 Engineering (General). Civil engineering (General) TA1-2040 Mechanical engineering and machinery TJ1-1570 Chemistry QD1-999 Claudiu Valentin Suciu Hozumi Goto Naoko Gouya Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
description	A Molecular Dynamics (MD) technique is proposed to simulate the motion of water nanodroplets on wavelike nanorough surfaces and the contact angle is evaluated. Results obtained through MD simulations, in agreement with the experimental evidence, suggest that the contact angle can be increased by folding the base surface, to produce a wavelike nanoroughness. By considering the fraction of nonwetted area as a function of the ratio of true area to projected area, it becomes possible to fit the results obtained through MD simulations on a generalized Wenzel-Cassie model, even in the nanometer range. The physical meaning of such fitting technique is discussed. Results obtained are useful for the appropriate design of the hydrophobic or hydrophilic surfaces, and for the adequate design of nanorough surfaces with tribological applications.
format	article
author	Claudiu Valentin Suciu Hozumi Goto Naoko Gouya
author_facet	Claudiu Valentin Suciu Hozumi Goto Naoko Gouya
author_sort	Claudiu Valentin Suciu
title	Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
title_short	Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
title_full	Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
title_fullStr	Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
title_full_unstemmed	Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces
title_sort	molecular dynamics simulation of wetting on wavelike nanorough surfaces
publisher	Japanese Society of Tribologists
publishDate	2011
url	https://doaj.org/article/8a0d385922bc46ed97c9aa1982933156
work_keys_str_mv	AT claudiuvalentinsuciu moleculardynamicssimulationofwettingonwavelikenanoroughsurfaces AT hozumigoto moleculardynamicssimulationofwettingonwavelikenanoroughsurfaces AT naokogouya moleculardynamicssimulationofwettingonwavelikenanoroughsurfaces
_version_	1718444360534589440

Molecular Dynamics Simulation of Wetting on Wavelike Nanorough Surfaces

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