Green–Kubo relations for dynamic interfacial excess properties

Leonard M.C. Sagis

Physica A: Statistical Mechanics and its Applications, 2012, vol. 391, issue 15, 3805-3815

Abstract: In this paper we analyze the fluctuations of the in-plane interfacial excess fluxes in multiphase systems, in the context of the extended irreversible thermodynamics formalism. We derive expressions for the time correlation functions of the surface extra stress tensor, the surface mass flux vector, and the surface energy flux vector, and use these expressions to derive Green–Kubo relations for the surface shear viscosity, the surface dilatational viscosity, the surface diffusion coefficient, and the surface thermal conductivity. These Green-Kubo relations can be used to compute these excess transport coefficients using for example molecular dynamics simulations.

Keywords: Surface shear viscosity; Surface dilatational viscosity; Surface thermal conductivity; Surface diffusion coefficient; Extended irreversible thermodynamics; Fluctuations; Green–Kubo relations (search for similar items in EconPapers)
Date: 2012
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:391:y:2012:i:15:p:3805-3815

DOI: 10.1016/j.physa.2012.03.019

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