Lattice Boltzmann method with self-consistent thermo-hydrodynamic equilibria

Lattice kinetic equations incorporating the effects of external/internal force fields via a shift of the local fields in the local equilibria, are placed within the framework of continuum kinetic theory. The mathematical treatment reveals that, in order to be consistent with the correct thermo-hydrodynamical description, temperature must also be shifted, besides momentum. New perspectives for the formulation of thermo-hydrodynamic lattice kinetic models of non-ideal fluids are then envisaged. It is also shown that on the lattice, the definition of the macroscopic temperature requires the inclusion of new terms directly related to discrete effects. The theoretical treatment is tested against a controlled case with a non ideal equation of state.Comment: 10 pages, 1 figur

Numerical simulations of compressible Rayleigh-Taylor turbulence in stratified fluids

We present results from numerical simulations of Rayleigh-Taylor turbulence, performed using a recently proposed lattice Boltzmann method able to describe consistently a thermal compressible flow subject to an external forcing. The method allowed us to study the system both in the nearly-Boussinesq and strongly compressible regimes. Moreover, we show that when the stratification is important, the presence of the adiabatic gradient causes the arrest of the mixing process.Comment: 15 pages, 11 figures. Proceedings of II Conference on Turbulent Mixing and Beyond (TMB-2009

Permeability of self-affine rough fractures

The permeability of two-dimensional fractures with self-affine fractal roughness is studied via analytic arguments and numerical simulations. The limit where the roughness amplitude is small compared with average fracture aperture is analyzed by a perturbation method, while in the opposite case of narrow aperture, we use heuristic arguments based on lubrication theory. Numerical simulations, using the lattice Boltzmann method, are used to examine the complete range of aperture sizes, and confirm the analytic arguments.Comment: 11 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

The structure of (SCN)_x. A study using molecular and solid state density functional theory calculations

Molecular fragments and crystal structures based on proposed structures for polythiocyanogen were studied using molecular and solid-state electronic structure calculations at the density functional theory level. The energetics and chemical shifts from both types of calculations indicate that a planar N-linked chain consisting of 1,2,4-dithiazole five-rings with adjacent rings pointing in opposite directions is the most likely local structure of the (SCN)x polymer