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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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Detalles Bibliográficos
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
Descripción
Sumario:[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.