4 research outputs found
Continuum-particle hybrid coupling for mass, momentum and energy transfers in unsteady fluid flow
The aim of hybrid methods in simulations is to communicate regions with
disparate time and length scales. Here, a fluid described at the atomistic
level within an inner region P is coupled to an outer region C described by
continuum fluid dynamics. The matching of both descriptions of matter is made
across an overlapping region and, in general, consists of a two-way coupling
scheme (C->P and P->C) which conveys mass, momentum and energy fluxes. The
contribution of the hybrid scheme hereby presented is two-fold: first it treats
unsteady flows and, more importantly, it handles energy exchange between both C
and P regions. The implementation of the C->P coupling is tested here using
steady and unsteady flows with different rates of mass, momentum and energy
exchange. In particular, relaxing flows described by linear hydrodynamics
(transversal and longitudinal waves) are most enlightening as they comprise the
whole set of hydrodynamic modes. Applying the hybrid coupling scheme after the
onset of an initial perturbation, the cell-averaged Fourier components of the
flow variables in the P region (velocity, density, internal energy, temperature
and pressure) evolve in excellent agreement with the hydrodynamic trends. It is
also shown that the scheme preserves the correct rate of entropy production. We
discuss some general requirements on the coarse-grained length and time scales
arising from both the characteristic microscopic and hydrodynamic scales.Comment: LaTex, 12 pages, 9 figure
Simulation of Flow of Mixtures Through Anisotropic Porous Media using a Lattice Boltzmann Model
We propose a description for transient penetration simulations of miscible
and immiscible fluid mixtures into anisotropic porous media, using the lattice
Boltzmann (LB) method. Our model incorporates hydrodynamic flow, diffusion,
surface tension, and the possibility for global and local viscosity variations
to consider various types of hardening fluids. The miscible mixture consists of
two fluids, one governed by the hydrodynamic equations and one by diffusion
equations. We validate our model on standard problems like Poiseuille flow, the
collision of a drop with an impermeable, hydrophobic interface and the
deformation of the fluid due to surface tension forces. To demonstrate the
applicability to complex geometries, we simulate the invasion process of
mixtures into wood spruce samples.Comment: Submitted to EPJ
Multiscale molecular dynamics/hydrodynamics implementation of two dimensional “Mercedes Benz” water model
A multiscale Molecular Dynamics/Hydrodynamics implementation of the 2D Mercedes Benz (MB or BN2D) [1] water model is developed and investigated. The concept and the governing equations of multiscale coupling together with the results of the two-way coupling implementation are reported. The sensitivity of the multiscale model for obtaining macroscopic and microscopic parameters of the system, such as macroscopic density and velocity fluctuations, radial distribution and velocity autocorrelation functions of MB particles, is evaluated. Critical issues for extending the current model to large systems are discussed