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

[Image: see text] 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 distributi...

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Autores principales: Rahman, Muhammad Rizwanur, Shen, Li, Ewen, James P., Dini, Daniele, Smith, E. R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9022435/
https://www.ncbi.nlm.nih.gov/pubmed/35385282
http://dx.doi.org/10.1021/acs.langmuir.2c00201
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author Rahman, Muhammad Rizwanur
Shen, Li
Ewen, James P.
Dini, Daniele
Smith, E. R.
author_facet Rahman, Muhammad Rizwanur
Shen, Li
Ewen, James P.
Dini, Daniele
Smith, E. R.
author_sort Rahman, Muhammad Rizwanur
collection PubMed
description [Image: see text] 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.
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spelling pubmed-90224352022-04-21 The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective Rahman, Muhammad Rizwanur Shen, Li Ewen, James P. Dini, Daniele Smith, E. R. Langmuir [Image: see text] 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. American Chemical Society 2022-04-06 2022-04-19 /pmc/articles/PMC9022435/ /pubmed/35385282 http://dx.doi.org/10.1021/acs.langmuir.2c00201 Text en © 2022 American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Rahman, Muhammad Rizwanur
Shen, Li
Ewen, James P.
Dini, Daniele
Smith, E. R.
The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title_full The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title_fullStr The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title_full_unstemmed The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title_short The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
title_sort intrinsic fragility of the liquid–vapor interface: a stress network perspective
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9022435/
https://www.ncbi.nlm.nih.gov/pubmed/35385282
http://dx.doi.org/10.1021/acs.langmuir.2c00201
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