Fluctuating hydrodynamic modeling of fluids at the nanoscale.
Reads0
Chats0
TLDR
A finite volume discretization of the compressible isothermal fluctuating hydrodynamic equations over a regular grid in the Eulerian reference system is derived and is shown to be thermodynamically consistent and correctly reproduces linear hydrodynamics including relaxation of sound and shear modes.Abstract:
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales [De Fabritiis et al., Phys. Rev. Lett. 97, 134501 (2006)]. However, accurate computational models of the hydrodynamics of nanoscale molecular assemblies are lacking, at least in part because of the stochastic character of the underlying fluctuating hydrodynamic equations. Here we derive a finite volume discretization of the compressible isothermal fluctuating hydrodynamic equations over a regular grid in the Eulerian reference system. We apply it to fluids such as argon at arbitrary densities and water under ambient conditions. To that end, molecular dynamics simulations are used to derive the required fluid properties. The equilibrium state of the model is shown to be thermodynamically consistent and correctly reproduces linear hydrodynamics including relaxation of sound and shear modes. We also consider nonequilibrium states involving diffusion and convection in cavities with no-slip boundary conditions.read more
Citations
More filters
Book ChapterDOI
Lattice Boltzmann Simulations of Soft Matter Systems
TL;DR: In this article, numerical simulations of the dynamics of particles immersed in a continuum solvent have been studied and a general overview of the various simulation methods that have been developed to cope with the resulting computational problems.
Journal ArticleDOI
On the Accuracy of Finite-Volume Schemes for Fluctuating Hydrodynamics
TL;DR: Dov et al. as mentioned in this paper proposed an approach to solve the DoV problem at the Lawrence Livermore National Laboratory (LLNL) in the context of computer science and engineering.
Journal ArticleDOI
Staggered Schemes for Fluctuating Hydrodynamics
Florencio Balboa Usabiaga,John B. Bell,Rafael Delgado-Buscalioni,Aleksandar Donev,Thomas G. Fai,Boyce E. Griffith,Charles S. Peskin +6 more
TL;DR: A second-order accurate spatial discretization of the diffusive, advective, and stochastic fluxes that satisfies a discrete fluctuation-dissipation balance and construct temporal discretizations that are at least second- order accurate in time deterministically and in a weak sense are developed.
Journal ArticleDOI
Concurrent triple-scale simulation of molecular liquids.
TL;DR: The combined AdResS-HybridMD scheme successfully sorts out the problem of large molecule insertion in the hybrid particle-continuum simulations of molecular liquids, and opens up the possibility to perform efficient grand-canonical molecular dynamics simulations of truly open molecular liquid systems.
Journal ArticleDOI
Stochastic Eulerian Lagrangian methods for fluid-structure interactions with thermal fluctuations
TL;DR: In this article, a mixed mechanical description is utilized combining Eulerian and Lagrangian reference frames for the study of fluid-structure interactions subject to thermal fluctuations, and stochastic driving fields for the formalism are derived using principles from statistical mechanics.
References
More filters
Book
Numerical heat transfer and fluid flow
TL;DR: In this article, the authors focus on heat and mass transfer, fluid flow, chemical reaction, and other related processes that occur in engineering equipment, the natural environment, and living organisms.
Book
Numerical Solution of Stochastic Differential Equations
Peter E. Kloeden,Eckhard Platen +1 more
TL;DR: In this article, a time-discrete approximation of deterministic Differential Equations is proposed for the stochastic calculus, based on Strong Taylor Expansions and Strong Taylor Approximations.
Journal ArticleDOI
The Lattice Boltzmann Equation for Fluid Dynamics and Beyond by Sauro Succi (Clarendon Press, Oxford, 2001) ISBN 0 19 850398 9
Book
Statistical Thermodynamics of Nonequilibrium Processes
TL;DR: Onsager and Onsager as discussed by the authors developed a consistent statistical theory of irreversible processes based on the notion of elementary molecular processes, which manifest themselves as random changes in the extensive variables characterizing a system.
Related Papers (5)
A stochastic immersed boundary method for fluid-structure dynamics at microscopic length scales
Direct numerical simulation of the Brownian motion of particles by using fluctuating hydrodynamic equations
Nitin Sharma,Neelesh A. Patankar +1 more