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.
| Original language | English |
|---|---|
| Pages (from-to) | 4669-4679 |
| Number of pages | 11 |
| Journal | Langmuir |
| Volume | 38 |
| Issue number | 15 |
| DOIs | |
| Publication status | Published - 6 Apr 2022 |
Acknowledgements
The authors wish to thank Prof. D. M. Heyes (Department of Mechanical Engineering, Imperial College London, U.K.) for insightful discussions. M.R.R. acknowledges Ph.D. studentship funding from Shell via the University Technology Centre for Fuels and Lubricants and the Beit Trust for the Beit Fellowship for Scientific Research. L.S. thanks the Engineering and Physical Sciences Research Council (EPSRC) for a Postdoctoral Fellowship (EP/V005073/1). J.P.E. was supported by the Royal Academy of Engineering through a Research Fellowship. D.D. thanks the EPSRC for an Established Career Fellowship (EP/N025954/1).ASJC Scopus subject areas
- General Materials Science
- Condensed Matter Physics
- Surfaces and Interfaces
- Spectroscopy
- Electrochemistry