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Title

Capillary wave Hamiltonian for the Landau–Ginzburg–Wilson density functional

AuthorsChacón, Enrique ; Tarazona, Pedro
KeywordsCapillary wave
Density functional
Liquid surface
Issue Date22-Jun-2016
PublisherIOP Publishing
CitationJournal of Physics - Condensed Matter 28(24): 244014 (2016)
AbstractWe study the link between the density functional (DF) formalism and the capillary wave theory (CWT) for liquid surfaces, focused on the Landau–Ginzburg–Wilson (LGW) model, or square gradient DF expansion, with a symmetric double parabola free energy, which has been extensively used in theoretical studies of this problem. We show the equivalence between the non-local DF results of Parry and coworkers and the direct evaluation of the mean square fluctuations of the intrinsic surface, as is done in the intrinsic sampling method for computer simulations. The definition of effective wave-vector dependent surface tensions is reviewed and we obtain new proposals for the LGW model. The surface weight proposed by Blokhuis and the surface mode analysis proposed by Stecki provide consistent and optimal effective definitions for the extended CWT Hamiltonian associated to the DF model. A non-local, or coarse-grained, definition of the intrinsic surface provides the missing element to get the mesoscopic surface Hamiltonian from the molecular DF description, as had been proposed a long time ago by Dietrich and coworkers.
Publisher version (URL)https://doi.org/10.1088/0953-8984/28/24/244014
URIhttp://hdl.handle.net/10261/186388
DOI10.1088/0953-8984/28/24/244014
ISSN0953-8984
E-ISSN1361-648X
Appears in Collections:(ICMM) Artículos
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