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## Scholarly Works (42 results)

In this paper we use numerical simulation to investigate shock-induced ignition and combustion of a hydrocarbon gas. The focus of this paper is on quantifying the effect of fidelity in the chemical kinetics on the overall solution. We model the system using the compressible Navier Stokes equations for a reacting mixture. These equations express conservation of species mass, momentum, total energy.

This work presents three-dimensional simulations of core convection in a 15 solar mass star halfway through its main sequence lifetime. We examine the effects of two common modeling choices on the resulting convective flow: using a reduced domain size and using a monatomic, or single species, approximation. We compare a multi-species simulation on a full sphere (360 degree) domain with a multi-species simulation on an octant domain and also with a single species simulation on a full sphere domain.

To perform the long-time calculations, we use the new low Mach number code MAESTRO. The first part of this work deals with numerical aspects of using MAESTRO for the core convection system, a new application for MAESTRO. We extend MAESTRO to include two new models, a single species model and a simplified two-dimensional planar model, to aid in the exploration of using MAESTRO for core convection in massive stars. We discuss using MAESTRO with a novel spherical geometry domain configuration, namely, with the outer boundary located in the interior of the star, and show how this can create spurious velocities that must be numerically damped using a sponging layer. We describe the preparation of the initial model for the simulation. We find that assuring neutral stratification in the convective core and reasonable resolution of the gravity waves in the stable layer are key factors in generating suitable initial conditions for the simulation. Further, we examine a numerical aspect of the velocity constraint that is part of the low Mach number formulation of the Euler equations. In particular, we investigate the numerical procedure for computing β0, the density-like variable that captures background stratification in the velocity constraint, and find that the original method of computation remains a good choice.

The three-dimensional simulation results show that using a single species model actually increases the computational cost of the simulation because the single species system takes longer to reach quasi-steady state convection. This is due to the fact that a single species model cannot effectively model mixing at the convection zone boundary, where fluid of a differing composition is pulled into the convective region.

Simulations in an octant yields flow with statistical properties that are within a factor of two (or less) of the full sphere simulation values. Both the octant and full sphere simulations show similar mixing across the convection zone boundary that is consistent with the turbulent entrainment model. However, the global character of the flow is distinctly different in the octant simulation, showing more rapid changes in the large scale structure of the flow, leading to a more isotropic flow on average. Thus, for studies of more rapid dynamics that could depend sensitively on anisotropy in the flow, such as simulations of the helium flash or oxygen shell burning, performing simulations on a reduced domain is questionable.

This conference paper considers how to use reaction path diagrams to better understand the output of reacting flow simulations. Briefly, these diagrams have long been used to depict the reactants and products in networks of chemical reactions. The diagrams can be generated in several ways from computer simulations of chemically reacting fluids to depict how the fluid moderates the chemistry by determining which species are brought into contact to react in quantity. The concept of a conditional diagram is introduced which depicts the reactions occurring in only a portion of the fluid domain, thus enabling comparisons between different regions of the fluid and the overall reaction network. Several examples are provided of the paths occurring in methane diffusion flames.

In this paper we study the behavior of a premixed turbulent methane flame in three dimensions using numerical simulation. The simulations are performed using an adaptive time-dependent low Mach number combustion algorithm based on a second-order projection formulation that conserves both species mass and total enthalpy. The species and enthalpy equations are treated using an operator-split approach that incorporates stiff integration techniques for modeling detailed chemical kinetics. The methodology also incorporates a mixture model for differential diffusion. For the simulations presented here, methane chemistry and transport are modeled using the DRM-19 (19-species, 84-reaction) mechanism derived from the GRIMech-1.2 mechanism along with its associated thermodynamics and transport databases. We consider a lean flame with equivalence ratio 0.8 for two different levels of turbulent intensity. For each case we examine the basic structure of the flame including turbulent flame speed and flame surface area. The results indicate that flame wrinkling is the dominant factor leading to the increased turbulent flame speed. Joint probability distributions are computed to establish a correlation between heat release and curvature. We also investigate the effect of turbulent flame interaction on the flame chemistry. We identify specific flame intermediates that are sensitive to turbulence and explore various correlations between these species and local flame curvature. We identify different mechanisms by which turbulence modulates the chemisry of the flame.

This paper introduces an adaptive mesh and algorithm refinement method for fluctuating hydrodynamics. This particle-continuum hybrid simulates the dynamics of a compressible fluid with thermal fluctuations. The particle algorithm is direct simulation Monte Carlo (DSMC), a molecular-level scheme based on the Boltzmann equation. The continuum algorithm is based on the Landau-Lifshitz Navier-Stokes (LLNS) equations, which incorporate thermal fluctuations into macroscopic hydrodynamics by using stochastic fluxes. It uses a recently-developed solver for LLNS, based on third-order Runge-Kutta. We present numerical tests of systems in and out of equilibrium, including time-dependent systems, and demonstrate dynamic adaptive refinement by the computation of a moving shock wave. Mean system behavior and second moment statistics of our simulations match theoretical values and benchmarks well. We find that particular attention should be paid to the spectrum of the flux at the interface between the particle and continuum methods, specifically for the non-hydrodynamic (kinetic) time scales.