A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations

Implementing multicomponent diffusion models in reacting-flow simulations is computationally expensive due to the challenges involved in calculating diffusion coefficients. Instead, mixture-averaged diffusion treatments are typically used to avoid these costs. However, to our knowledge, the accuracy and appropriateness of the mixture-averaged diffusion models has not been verified for three-dimensional turbulent premixed flames. In this study we propose a fast,efficient, low-memory algorithm and use that to evaluate the role of multicomponent mass diffusion in reacting-flow simulations. Direct numerical simulation of these flames is performed by implementing the Stefan-Maxwell equations in NGA. A semi-implicit algorithm decreases the computational expense of inverting the full multicomponent ordinary diffusion array while maintaining accuracy and fidelity. We first verify the method by performing one-dimensional simulations of premixed hydrogen flames and compare with matching cases in Cantera. We demonstrate the algorithm to be stable, and its performance scales approximately with the number of species squared. Then, as an initial study of multicomponent diffusion, we simulate premixed, three-dimensional turbulent hydrogen flames, neglecting secondary Soret and Dufour effects. Simulation conditions are carefully selected to match previously published results and ensure valid comparison. Our results show that using the mixture-averaged diffusion assumption leads to a 15% under-prediction of the normalized turbulent flame speed for a premixed hydrogen-air flame. This difference in the turbulent flame speed motivates further study into using the mixture-averaged diffusion assumption for DNS of moderate-to-high Karlovitz number flames.Comment: 36 pages, 14 figure

A new numerical strategy with space-time adaptivity and error control for multi-scale streamer discharge simulations

This paper presents a new resolution strategy for multi-scale streamer discharge simulations based on a second order time adaptive integration and space adaptive multiresolution. A classical fluid model is used to describe plasma discharges, considering drift-diffusion equations and the computation of electric field. The proposed numerical method provides a time-space accuracy control of the solution, and thus, an effective accurate resolution independent of the fastest physical time scale. An important improvement of the computational efficiency is achieved whenever the required time steps go beyond standard stability constraints associated with mesh size or source time scales for the resolution of the drift-diffusion equations, whereas the stability constraint related to the dielectric relaxation time scale is respected but with a second order precision. Numerical illustrations show that the strategy can be efficiently applied to simulate the propagation of highly nonlinear ionizing waves as streamer discharges, as well as highly multi-scale nanosecond repetitively pulsed discharges, describing consistently a broad spectrum of space and time scales as well as different physical scenarios for consecutive discharge/post-discharge phases, out of reach of standard non-adaptive methods.Comment: Support of Ecole Centrale Paris is gratefully acknowledged for several month stay of Z. Bonaventura at Laboratory EM2C as visiting Professor. Authors express special thanks to Christian Tenaud (LIMSI-CNRS) for providing the basis of the multiresolution kernel of MR CHORUS, code developed for compressible Navier-Stokes equations (D\'eclaration d'Invention DI 03760-01). Accepted for publication; Journal of Computational Physics (2011) 1-2

Implementation of the LANS-alpha turbulence model in a primitive equation ocean model

This paper presents the first numerical implementation and tests of the Lagrangian-averaged Navier-Stokes-alpha (LANS-alpha) turbulence model in a primitive equation ocean model. The ocean model in which we work is the Los Alamos Parallel Ocean Program (POP); we refer to POP and our implementation of LANS-alpha as POP-alpha. Two versions of POP-alpha are presented: the full POP-alpha algorithm is derived from the LANS-alpha primitive equations, but requires a nested iteration that makes it too slow for practical simulations; a reduced POP-alpha algorithm is proposed, which lacks the nested iteration and is two to three times faster than the full algorithm. The reduced algorithm does not follow from a formal derivation of the LANS-alpha model equations. Despite this, simulations of the reduced algorithm are nearly identical to the full algorithm, as judged by globally averaged temperature and kinetic energy, and snapshots of temperature and velocity fields. Both POP-alpha algorithms can run stably with longer timesteps than standard POP. Comparison of implementations of full and reduced POP-alpha algorithms are made within an idealized test problem that captures some aspects of the Antarctic Circumpolar Current, a problem in which baroclinic instability is prominent. Both POP-alpha algorithms produce statistics that resemble higher-resolution simulations of standard POP. A linear stability analysis shows that both the full and reduced POP-alpha algorithms benefit from the way the LANS-alpha equations take into account the effects of the small scales on the large. Both algorithms (1) are stable; (2) make the Rossby Radius effectively larger; and (3) slow down Rossby and gravity waves.Comment: Submitted to J. Computational Physics March 21, 200

A Two-moment Radiation Hydrodynamics Module in Athena Using a Time-explicit Godunov Method

We describe a module for the Athena code that solves the gray equations of radiation hydrodynamics (RHD), based on the first two moments of the radiative transfer equation. We use a combination of explicit Godunov methods to advance the gas and radiation variables including the non-stiff source terms, and a local implicit method to integrate the stiff source terms. We adopt the M1 closure relation and include all leading source terms. We employ the reduced speed of light approximation (RSLA) with subcycling of the radiation variables in order to reduce computational costs. Our code is dimensionally unsplit in one, two, and three space dimensions and is parallelized using MPI. The streaming and diffusion limits are well-described by the M1 closure model, and our implementation shows excellent behavior for a problem with a concentrated radiation source containing both regimes simultaneously. Our operator-split method is ideally suited for problems with a slowly varying radiation field and dynamical gas flows, in which the effect of the RSLA is minimal. We present an analysis of the dispersion relation of RHD linear waves highlighting the conditions of applicability for the RSLA. To demonstrate the accuracy of our method, we utilize a suite of radiation and RHD tests covering a broad range of regimes, including RHD waves, shocks, and equilibria, which show second-order convergence in most cases. As an application, we investigate radiation-driven ejection of a dusty, optically thick shell in the interstellar medium (ISM). Finally, we compare the timing of our method with other well-known iterative schemes for the RHD equations. Our code implementation, Hyperion, is suitable for a wide variety of astrophysical applications and will be made freely available on the Web.Comment: 30 pages, 29 figures, accepted for publication in ApJ

Lattice Boltzmann simulations of soft matter systems

This article concerns numerical simulations of the dynamics of particles immersed in a continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical particles and solutions of uncharged polymers. After a brief explanation of the concept of hydrodynamic interactions, we give a general overview over the various simulation methods that have been developed to cope with the resulting computational problems. We then focus on the approach we have developed, which couples a system of particles to a lattice Boltzmann model representing the solvent degrees of freedom. The standard D3Q19 lattice Boltzmann model is derived and explained in depth, followed by a detailed discussion of complementary methods for the coupling of solvent and solute. Colloidal dispersions are best described in terms of extended particles with appropriate boundary conditions at the surfaces, while particles with internal degrees of freedom are easier to simulate as an arrangement of mass points with frictional coupling to the solvent. In both cases, particular care has been taken to simulate thermal fluctuations in a consistent way. The usefulness of this methodology is illustrated by studies from our own research, where the dynamics of colloidal and polymeric systems has been investigated in both equilibrium and nonequilibrium situations.Comment: Review article, submitted to Advances in Polymer Science. 16 figures, 76 page

Fornax: a Flexible Code for Multiphysics Astrophysical Simulations

This paper describes the design and implementation of our new multi-group, multi-dimensional radiation hydrodynamics (RHD) code Fornax and provides a suite of code tests to validate its application in a wide range of physical regimes. Instead of focusing exclusively on tests of neutrino radiation hydrodynamics relevant to the core-collapse supernova problem for which Fornax is primarily intended, we present here classical and rigorous demonstrations of code performance relevant to a broad range of multi-dimensional hydrodynamic and multi-group radiation hydrodynamic problems. Our code solves the comoving-frame radiation moment equations using the M1 closure, utilizes conservative high-order reconstruction, employs semi-explicit matter and radiation transport via a high-order time stepping scheme, and is suitable for application to a wide range of astrophysical problems. To this end, we first describe the philosophy, algorithms, and methodologies of Fornax and then perform numerous stringent code tests, that collectively and vigorously exercise the code, demonstrate the excellent numerical fidelity with which it captures the many physical effects of radiation hydrodynamics, and show excellent strong scaling well above 100k MPI tasks.Comment: Accepted to the Astrophysical Journal Supplement Series; A few more textual and reference updates; As before, one additional code test include