Characterization of thin liquid films using molecular dynamics simulation

Jaeil Lee, Seungho Park, Oh Myoung Kwon, Young Ki Choi, Joon Sik Lee

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however7 does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.

Original languageEnglish
Pages (from-to)1477-1484
Number of pages8
JournalKSME International Journal
Volume16
Issue number11
Publication statusPublished - 2002 Nov 1
Externally publishedYes

Fingerprint

Liquid films
Molecular dynamics
Thin films
Film thickness
Computer simulation
Surface tension
Vapors
Temperature

Keywords

  • Interfacial Overlap
  • Molecular Dynamics
  • Surface Tension
  • Thin Liquid Film

ASJC Scopus subject areas

  • Mechanical Engineering

Cite this

Lee, J., Park, S., Kwon, O. M., Choi, Y. K., & Lee, J. S. (2002). Characterization of thin liquid films using molecular dynamics simulation. KSME International Journal, 16(11), 1477-1484.

Characterization of thin liquid films using molecular dynamics simulation. / Lee, Jaeil; Park, Seungho; Kwon, Oh Myoung; Choi, Young Ki; Lee, Joon Sik.

In: KSME International Journal, Vol. 16, No. 11, 01.11.2002, p. 1477-1484.

Research output: Contribution to journalArticle

Lee, J, Park, S, Kwon, OM, Choi, YK & Lee, JS 2002, 'Characterization of thin liquid films using molecular dynamics simulation', KSME International Journal, vol. 16, no. 11, pp. 1477-1484.
Lee, Jaeil ; Park, Seungho ; Kwon, Oh Myoung ; Choi, Young Ki ; Lee, Joon Sik. / Characterization of thin liquid films using molecular dynamics simulation. In: KSME International Journal. 2002 ; Vol. 16, No. 11. pp. 1477-1484.
@article{ce7492b99d384c7eb80f935a447d6ad0,
title = "Characterization of thin liquid films using molecular dynamics simulation",
abstract = "Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however7 does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.",
keywords = "Interfacial Overlap, Molecular Dynamics, Surface Tension, Thin Liquid Film",
author = "Jaeil Lee and Seungho Park and Kwon, {Oh Myoung} and Choi, {Young Ki} and Lee, {Joon Sik}",
year = "2002",
month = "11",
day = "1",
language = "English",
volume = "16",
pages = "1477--1484",
journal = "Journal of Mechanical Science and Technology",
issn = "1738-494X",
publisher = "Korean Society of Mechanical Engineers",
number = "11",

}

TY - JOUR

T1 - Characterization of thin liquid films using molecular dynamics simulation

AU - Lee, Jaeil

AU - Park, Seungho

AU - Kwon, Oh Myoung

AU - Choi, Young Ki

AU - Lee, Joon Sik

PY - 2002/11/1

Y1 - 2002/11/1

N2 - Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however7 does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.

AB - Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interfacial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however7 does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.

KW - Interfacial Overlap

KW - Molecular Dynamics

KW - Surface Tension

KW - Thin Liquid Film

UR - http://www.scopus.com/inward/record.url?scp=0038179073&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0038179073&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0038179073

VL - 16

SP - 1477

EP - 1484

JO - Journal of Mechanical Science and Technology

JF - Journal of Mechanical Science and Technology

SN - 1738-494X

IS - 11

ER -