The intrinsic fragility of the liquid-vapor interface: a stress network perspective
File(s)Manuscript_Intrinsic_R3.pdf (6.35 MB)
Accepted version
Author(s)
Rahman, Muhammad
Shen, Li
Ewen, James
Dini, Daniele
Smith, Edward
Type
Journal Article
Abstract
The evolution of the liquid-vapour interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest, in agreement with capillary wave theory, clear damping of the density profiles as the temperature is increased. We identify a linear variation of the space-filling nature (fractal dimension) of the stress-clusters at the intrinsic surface with increasing surface tension, or equivalently, with decreasing temperature. A percolation analysis of these stress networks indicates that the stress field is more disjointed at higher temperatures. This leads to more fragile interfaces that result in a reduction in surface tension at higher temperature.
Date Issued
2022-04-19
Date Acceptance
2022-03-24
Citation
Langmuir: the ACS journal of surfaces and colloids, 2022, 38 (15), pp.4669-4679
ISSN
0743-7463
Publisher
American Chemical Society
Start Page
4669
End Page
4679
Journal / Book Title
Langmuir: the ACS journal of surfaces and colloids
Volume
38
Issue
15
Copyright Statement
© 2022 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Langmuir, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.langmuir.2c00201
Sponsor
Royal Academy Of Engineering
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Grant Number
RF\201920\19\269
EP/N025954/1
EP/V005073/1
Subjects
Chemical Physics
Publication Status
Published
Date Publish Online
2022-04-06