GENERIC-compliant simulations of Brownian multi-particle systems: modeling stochastic lubrication
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Adolfo Vázquez-Quesada [1] ; Marco Ellero [2]
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[1] Universidad de Alcalá
Universidad de Alcalá
Alcalá de Henares, España
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[2] Basque Center for Applied Mathematics
Basque Center for Applied Mathematics
Bilbao, España
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- Localización: SeMA Journal: Boletín de la Sociedad Española de Matemática Aplicada, ISSN-e 2254-3902, ISSN 2254-3902, Vol. 79, Nº. Extra 1, 2022, págs. 165-185
- Idioma: inglés
- DOI: 10.1007/s40324-021-00280-z
- Texto completo no disponible (Saber más ...)
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Resumen
A stochastic Lagrangian model for simulating the dynamics and rheology of a Brownian multi-particle system interacting with a simple liquid medium is presented. The discrete particle model is formulated within the GENERIC framework for Non-Equilibrium Thermodynamics and therefore it satisfies discretely the First/Second Laws of Thermodynamics and the Fluctuation Dissipation Theorem (FDT). Long-range fluctuating hydrodynamics interactions between suspended particles are described by an explicit solvent model. To this purpose, the Smoothed Dissipative Particle Dynamics method is adopted, which is a GENERIC compliant Lagrangian meshless discretization of the fluctuating Navier–Stokes equations. In dense multi-particle systems, the average inter-particle distance is typically small compared to the particle size and short-range hydrodynamics interactions play a major role. In order to bypass an explicit—computationally costly—solution for these forces, a lubrication correction is introduced based on semi-analytical expressions for spheres under Stokes flow conditions. We generalize here the lubrication formalism to Brownian conditions, where an additional thermal-lubrication contribution needs to be taken into account in a way that discretely satisfies FDT. The coupled lubrication dynamics is integrated in time using a generalized semi-implicit splitting scheme for stochastic differential equations. The model is finally validated for a single particle diffusion as well as for a Brownian multi-particle system under homogeneous shear flow. Results for the diffusional properties as well as the rheological behavior of the whole suspension are presented and discussed.
