Efficient supersonic flow simulations using lattice Boltzmann methods based on numerical equilibria.

A double-distribution-function based lattice Boltzmann method (DDF-LBM) is proposed for the simulation of polyatomic gases in the supersonic regime. The model relies on a numerical equilibrium that has been extensively used by discrete velocity methods since the late 1990s. Here, it is extended to reproduce an arbitrary number of moments of the Maxwell-Boltzmann distribution. These extensions to the standard 5-constraint (mass, momentum and energy) approach lead to the correct simulation of thermal, compressible flows with only 39 discrete velocities in 3D. The stability of this BGK-LBM is reinforced by relying on Knudsen-number-dependent relaxation times that are computed analytically. Hence, high Reynolds-number, supersonic flows can be simulated in an efficient and elegant manner. While the 1D Riemann problem shows the ability of the proposed approach to handle discontinuities in the zero-viscosity limit, the simulation of the supersonic flow past a NACA0012 aerofoil confirms the excellent behaviour of this model in a low-viscosity and supersonic regime. The flow past a sphere is further simulated to investigate the 3D behaviour of our model in the low-viscosity supersonic regime. The proposed model is shown to be substantially more efficient than the previous 5-moment D3Q343 DDF-LBM for both CPU and GPU architectures. It then opens up a whole new world of compressible flow applications that can be realistically tackled with a purely LB approach. This article is part of the theme issue 'Fluid dynamics, soft matter and complex systems: recent results and new methods'.

How do volatiles escape their shallow magmatic hearth?

Only a small fraction (approx. 1-20%) of magmas generated in the mantle erupt at the surface. While volcanic eruptions are typically considered as the main exhaust pipes for volatile elements to escape into the atmosphere, the contribution of magma reservoirs crystallizing in the crust is likely to dominate the volatile transfer from depth to the surface. Here, we use multiscale physical modelling to identify and quantify the main mechanisms of gas escape from crystallizing magma bodies. We show that most of the outgassing occurs at intermediate to high crystal fraction, when the system has reached a mature mush state. It is particularly true for shallow volatile-rich systems that tend to exsolve volatiles through second boiling, leading to efficient construction of gas channels as soon as the crystallinity reaches approximately 40-50 vol.%. We, therefore, argue that estimates of volatile budgets based on volcanic activity may be misleading because they tend to significantly underestimate the magmatic volatile flux and can provide biased volatile compositions. Recognition of the compositional signature and volumetric dominance of intrusive outgassing is, therefore, necessary to build robust models of volatile recycling between the mantle and the surface. This article is part of the Theo Murphy meeting issue 'Magma reservoir architecture and dynamics'.

Pore-scale simulations of concentration tails in heterogeneous porous media.

The retention of contaminants in the finest and less-conductive regions of natural aquifer is known to strongly affect the decontamination of polluted aquifers. In fact, contaminant transfer from low to high mobility regions at the back end of a contaminant plume (i.e. back diffusion) is responsible for the long-term release of contaminants during remediation operation. In this paper, we perform pore-scale calculations for the transport of contaminant through heterogeneous porous media composed of low and high mobility regions with two objectives: (i) study the effect of permeability contrast and solute transport conditions on the exchange of solutes between mobile and immobile regions and (ii) estimate the mass of contaminants sequestered in low mobility regions based on concentration breakthrough curves.

Generalized three-dimensional lattice Boltzmann color-gradient method for immiscible two-phase pore-scale imbibition and drainage in porous media.

This article presents a three-dimensional numerical framework for the simulation of fluid-fluid immiscible compounds in complex geometries, based on the multiple-relaxation-time lattice Boltzmann method to model the fluid dynamics and the color-gradient approach to model multicomponent flow interaction. New lattice weights for the lattices D3Q15, D3Q19, and D3Q27 that improve the Galilean invariance of the color-gradient model as well as for modeling the interfacial tension are derived and provided in the Appendix. The presented method proposes in particular an approach to model the interaction between the fluid compound and the solid, and to maintain a precise contact angle between the two-component interface and the wall. Contrarily to previous approaches proposed in the literature, this method yields accurate solutions even in complex geometries and does not suffer from numerical artifacts like nonphysical mass transfer along the solid wall, which is crucial for modeling imbibition-type problems. The article also proposes an approach to model inflow and outflow boundaries with the color-gradient method by generalizing the regularized boundary conditions. The numerical framework is first validated for three-dimensional (3D) stationary state (Jurin's law) and time-dependent (Washburn's law and capillary waves) problems. Then, the usefulness of the method for practical problems of pore-scale flow imbibition and drainage in porous media is demonstrated. Through the simulation of nonwetting displacement in two-dimensional random porous media networks, we show that the model properly reproduces three main invasion regimes (stable displacement, capillary fingering, and viscous fingering) as well as the saturating zone transition between these regimes. Finally, the ability to simulate immiscible two-component flow imbibition and drainage is validated, with excellent results, by numerical simulations in a Berea sandstone, a frequently used benchmark case used in this field, using a complex geometry that originates from a 3D scan of a porous sandstone. The methods presented in this article were implemented in the open-source PALABOS library, a general C++ matrix-based library well adapted for massive fluid flow parallel computation.