Mañana, JUEVES, 24 DE ABRIL, el sistema se apagará debido a tareas habituales de mantenimiento a partir de las 9 de la mañana. Lamentamos las molestias.
Density correlation in liquid surfaces: Bedeaux-Weeks high order terms and non capillary wave background
Entity
UAM. Departamento de Física Teórica de la Materia Condensada; UAM. Centro de Investigación en Fisica de la Materia Condensada (IFIMAC); UAM. Instituto Universitario de Ciencia de Materiales Nicolás Cabrera (INC)Publisher
AIP Publishing.Date
2018-09-28Citation
10.1063/1.5049874
The Journal of Chemical Physics 149.12 (2018): 124704
ISSN
0021-9606 (print); 1089-7690 (online)DOI
10.1063/1.5049874Funded by
We acknowledge the support of the Spanish Secretariat for Research, Development, and Innovation (Grant Nos. FIS2017-86007-C3 and FPU2015/0248) and from the Maria de Maeztu Programme for Units of Excellence inR&D(No. MDM-2014-0377)Project
Gobierno de España. FIS2017-86007; Gobierno de España. FPU2015/0248Editor's Version
https://doi.org/10.1063/1.5049874Subjects
Molecular Dynamics (MD; Liquid-vapor surface; Capillary wave (CW); Density correlation; Bedeaux and Weeks (BW; Fluctuations; FísicaRights
© 2018 Author(s)Abstract
We present Molecular Dynamics (MD) simulations of liquid-vapor surfaces, and their Intrinsic Sampling Method analysis, to get a quantitative test for the theoretical prediction of the capillary wave (CW) effects on density correlation done by Bedeaux and Weeks (BW) in 1985. The results are contrasted with Wertheim’s proposal which is the first term in BW series and are complemented with a (formally defined and computational accessible) proposal for the background of non-CW fluctuations. Our conclusion is that BW theory is both accurate and needed since it may differ significantly from Wertheim’s proposal. We discuss the implications for the analysis of experimental X-ray surface diffraction data and MD simulations.
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Google Scholar:Hernández-Múnoz, José
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Chacón, Enrique
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Tarazona Lafarga, Pedro José
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