A. Donev, A. Nonaka, Yifei Sun, T. Fai, Alejandro L. Garcia, J. Bell
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The resulting spatio-temporal discretization is second-order accurate deterministically and maintains fluctuation-dissipation balance in the linearized stochastic equations. We apply our algorithms to model the development of giant concentration fluctuations in the presence of concentration gradients, and investigate the validity of common simplifications such as neglecting the spatial non-homogeneity of density and transport properties. We perform simulations of diffusive mixing of two fluids of different densities in two dimensions and compare the results of low Mach number continuum simulations to hard-disk molecular dynamics simulations. 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Low Mach Number Fluctuating Hydrodynamics of Diffusively Mixing Fluids
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 pressure associated with the propagation of sound waves by replacing the equation of state with a local thermodynamic constraint. We demonstrate that the low Mach number model preserves the spatio-temporal spectrum of the slower diffusive fluctuations. We develop a strictly conservative finite-volume spatial discretization of the low Mach number fluctuating equations in both two and three dimensions and construct several explicit Runge-Kutta temporal integrators that strictly maintain the equation of state constraint. The resulting spatio-temporal discretization is second-order accurate deterministically and maintains fluctuation-dissipation balance in the linearized stochastic equations. We apply our algorithms to model the development of giant concentration fluctuations in the presence of concentration gradients, and investigate the validity of common simplifications such as neglecting the spatial non-homogeneity of density and transport properties. We perform simulations of diffusive mixing of two fluids of different densities in two dimensions and compare the results of low Mach number continuum simulations to hard-disk molecular dynamics simulations. Excellent agreement is observed between the particle and continuum simulations of giant fluctuations during time-dependent diffusive mixing.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.