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We develop numerical methods for reaction-diffusion systems based on the equations of fluctuating hydrodynamics (FHD). While the FHD formulation is formally described by stochastic partial differential equations (SPDEs), it becomes similar…

Fluid Dynamics · Physics 2018-01-17 Changho Kim , Andy Nonaka , John B. Bell , Alejandro L. Garcia , Aleksandar Donev

In this paper we discuss the formulation of the fuctuating Navier-Stokes (FNS) equations for multi-species, non-reactive fluids. In particular, we establish a form suitable for numerical solution of the resulting stochastic partial…

Fluid Dynamics · Physics 2014-01-17 Kaushik Balakrishnan , Alejandro L. Garcia , Aleksandar Donev , John B. Bell

We formulate and study computationally the fluctuating compressible Navier-Stokes equations for reactive multi-species fluid mixtures. We contrast two different expressions for the covariance of the stochastic chemical production rate in…

Fluid Dynamics · Physics 2015-05-27 A. K. Bhattacharjee , K. Balakrishnan , A. L. Garcia , J. B. Bell , A. Donev

Computational fluctuating hydrodynamics aims at understanding the impact of thermal fluctuations on fluid motions at small scales through numerical exploration. These fluctuations are modeled as stochastic flux terms and incorporated into…

Fluid Dynamics · Physics 2022-05-13 Marc Mancini , Maxime Theillard , Changho Kim

We develop a low Mach number formulation of the hydrodynamic equations describing transport of mass and momentum in a multispecies mixture of incompressible miscible liquids at specified temperature and pressure that generalizes our prior…

Fluid Dynamics · Physics 2015-06-23 A. Donev , A. J. Nonaka , A. K. Bhattacharjee , A. L. Garcia , J. B. Bell

We present a numerical formulation for the solution of non-isothermal, compressible, Navier-Stokes equations with thermal fluctuations to describe mesoscale transport phenomena in multispecies fluid mixtures. The novelty of our numerical…

These notes are an introduction to fluctuating hydrodynamics (FHD) and the formulation of numerical schemes for the resulting stochastic partial differential equations (PDEs). Fluctuating hydrodynamics was originally introduced by Landau…

Continuing on our previous work [ArXiv:1212.2644], we develop semi-implicit numerical methods for solving low Mach number fluctuating hydrodynamic equations appropriate for modeling diffusive mixing in isothermal mixtures of fluids with…

Numerical Analysis · Mathematics 2016-01-20 A. J. Nonaka , Y. Sun , J. B. Bell , A. Donev

We present a hybrid computational method for simulating the dynamics of macromolecules in solution which couples a mesoscale solver for the fluctuating hydrodynamics (FH) equations with molecular dynamics to describe the macromolecule. The…

Soft Condensed Matter · Physics 2007-05-23 G. Giupponi , G. De Fabritiis , P. V. Coveney

At mesoscopic scales electrolyte solutions are modeled by the fluctuating generalized Poisson-Nernst-Planck (PNP) equations [J.-P. P\'eraud et al., Phys. Rev. F, 1(7):074103, 2016]. However, at length and time scales larger than the Debye…

Computational Physics · Physics 2019-04-10 Aleksandar Donev , Andrew J. Nonaka , Changho Kim , Alejandro L. Garcia , John B. Bell

We develop numerical schemes for solving the isothermal compressible and incompressible equations of fluctuating hydrodynamics on a grid with staggered momenta. We develop a second-order accurate spatial discretization of the diffusive,…

It is essential that mesoscopic simulations of reactive systems reproduce the correct statistical distributions at thermodynamic equilibrium. By considering a compressible fluctuating hydrodynamics (FHD) simulation method of ideal gas…

We introduce a full-Lagrangian heterogeneous multiscale method (LHMM) to model complex fluids with microscopic features that can extend over large spatio-temporal scales, such as polymeric solutions and multiphasic systems. The proposed…

Fluid Dynamics · Physics 2022-11-22 Nicolas Moreno , Marco Ellero

A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the…

Fluid Dynamics · Physics 2015-06-26 G. De Fabritiis , M. Serrano , R. Delgado-Buscalioni , P. V. Coveney

We formulate low Mach number fluctuating hydrodynamic equations appropriate for modeling diffusive mixing in isothermal mixtures of fluids with different density and transport coefficients. These equations eliminate the fluctuations in…

Numerical Analysis · Mathematics 2016-01-20 A. Donev , A. J. Nonaka , Y. Sun , T. G. Fai , A. L. Garcia , J. B. Bell

We present a symmetry-based formulation of nonlinear fluctuating hydrodynamics (NFH) for one-dimensional many-particle systems with generic homogeneous nearest-neighbor interactions. We derive the hydrodynamic equations solely from symmetry…

Statistical Mechanics · Physics 2026-05-13 Yuki Minami , Hiroyoshi Nakano , Keiji Saito

We study diffusive mixing in the presence of thermal fluctuations under the assumption of large Schmidt number. In this regime we obtain a limiting equation that contains a diffusive thermal drift term with diffusion coefficient obeying a…

Statistical Mechanics · Physics 2015-06-18 A. Donev , T. G. Fai , E. Vanden-Eijnden

The Rayleigh-Plateau instability occurs when surface tension makes a fluid column become unstable to small perturbations. At nanometer scales, thermal fluctuations are comparable to surface energy densities. Consequently, at these scales,…

Fluid Dynamics · Physics 2023-06-21 Bryn Barker , John B. Bell , Alejandro L. Garcia

Nonlinear fluctuating hydrodynamics (NFHD) is a powerful framework for understanding transport, but checking its validity with molecular dynamics is still challenging. Here, we overcome this challenge by developing an effective scheme for…

Statistical Mechanics · Physics 2020-05-22 Daxing Xiong

The recently established connection between stochastic thermodynamics and fluctuating hydrodynamics is applied to a study of efficiencies in the coupled transport of heat and matter on a small scale. A stochastic model for a mesoscopic cell…

Statistical Mechanics · Physics 2019-04-01 Jean-François Derivaux , Yannick De Decker
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