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The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective

Authors :
Rahman, Muhammad Rizwanur
Shen, Li
Ewen, James P.
Dini, Daniele
Smith, E. R.
Source :
Langmuir; April 2022, Vol. 38 Issue: 15 p4669-4679, 11p
Publication Year :
2022

Abstract

The evolution of the liquid–vapor interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest clear damping of the intrinsic profiles with increasing temperature. Investigating the surface stress distribution, we have identified 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 (or poorly connected) interfaces which result in a reduction in surface tension.

Details

Language :
English
ISSN :
07437463 and 15205827
Volume :
38
Issue :
15
Database :
Supplemental Index
Journal :
Langmuir
Publication Type :
Periodical
Accession number :
ejs59372680
Full Text :
https://doi.org/10.1021/acs.langmuir.2c00201