DOE OSTI2014
We consider semidiscrete ODE models of single-phase fluids and two-fluid mixtures. In the presence of multiple fine-scale heterogeneities, the size of these ODE systems can be very large. Spatial averaging is then a useful tool for reducing computational complexity of the problem. The averages satisfy exact balance equations of mass, momentum, and energy. These equations do not form a satisfactory continuum model because evaluation of stress and heat flux requires solving the underlying ODEs. To produce continuum equations that can be simulated without resolving microscale dynamics, we recently proposed a closure method based on the use of regularized deconvolution. Here we continue the investigation of deconvolution closure with the long term objective of developing consistent computational upscaling for multiphase particle methods. The structure of the fine-scale particle solvers is reminiscent of molecular dynamics. For this reason we use nonlinear averaging introduced for atomistic systems by Noll, Hardy, and Murdoch-Bedeaux. We also consider a simpler linear averaging originally developed in large eddy simulation of turbulence. We present several simple but representative examples of spatially averaged ODEs, where the closure error can be analyzed. Based on this analysis we suggest a general strategy for reducing the relative error of approximate closure. For problems with periodic highly oscillatory material parameters we propose a spectral boosting technique that augments the standard deconvolution and helps to correctly account for dispersion effects. We also conduct several numerical experiments, one of which is a complete mesoscale simulation of a stratified two-fluid flow in a channel. In this simulation, the operation count per coarse time step scales sublinearly with the number of particles.
Multiscale modeling, discrete models, fluid flow↗