The intrinsic fragility of the liquid-vapor interface: a stress network perspective

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Title: The intrinsic fragility of the liquid-vapor interface: a stress network perspective
Authors: Rahman, M
Shen, L
Ewen, J
Dini, D
Smith, E
Item 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.
Issue Date: 19-Apr-2022
Date of Acceptance: 24-Mar-2022
DOI: 10.1021/acs.langmuir.2c00201
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
Sponsor/Funder: Royal Academy Of Engineering
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Funder's Grant Number: RF\201920\19\269
Keywords: Chemical Physics
Publication Status: Published
Embargo Date: 2023-04-05
Online Publication Date: 2022-04-06
Appears in Collections:Mechanical Engineering
Faculty of Natural Sciences
Faculty of Engineering