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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A new operator-split Compton scattering method

In high-energy-density physics, when the temperatures are high (keV-range) and/or the densities are low, Compton scattering becomes the main energy transfer mechanism between the radiation field and the material. The interaction between the radiation field and the material is non-linear in the radiation field – due to induced processes caused by photons being bosons – and in the material temperature. Many existing codes use a Compton-Fokker-Planck (CFP) approximation – which is inaccurate for high photon energies or material temperatures – or use linear approximations within a time-step. Here, we have implemented a new Compton-heating method called OS-FBC (Operator-Split Full-Boltzmann Compton) that solves the full, nonlinear Compton-heating system with few approximations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A fully implicit, asymptotic-preserving, semi-Lagrangian algorithm for the time dependent anisotropic heat transport equation

In this paper, we extend the operator-split asymptotic-preserving, semi-Lagrangian algorithm for time dependent anisotropic heat transport equation proposed in Chacón et al. (2014) [18] to use a fully implicit time integration with backward differentiation formulas. The proposed implicit method can deal with arbitrary heat-transport anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ $\ggg$ 1 (with $\mathcal{X}$∥, $ \mathcal{X}$⟂ the parallel and perpendicular heat diffusivities, respectively) in complicated magnetic field topologies in an accurate and efficient manner. Further, the implicit algorithm is second-order accurate temporally and demonstrates an accurate treatment at boundary layers (e.g., island separatrices), which was not ensured by the operator-split implementation. The condition number of the resulting algebraic system is independent of the anisotropy ratio, and is inverted with preconditioned GMRES. We propose a simple preconditioner that renders the finite-dimensional linear operator compact, resulting in mesh-independent convergence rates for topologically simple magnetic fields, and convergence rates scaling as ~ (NΔt) 1/4 (with N the total mesh size and Δt the timestep) in topologically complex magnetic-field configurations. We demonstrate the accuracy and performance of the approach with test problems of varying complexity, including an analytically tractable boundary-layer problem in a straight magnetic field, and a topologically complex magnetic field featuring magnetic islands with extreme anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ = 10 10 ) .

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1991

Characteristics-based methods applied to infinite Prandtl number thermal convection in the hard turbulent regime

Characteristics-based methods for the advection-diffusion equation are presented and directly applied to study thermal convection with extremely large Rayleigh number (Ra). It is shown that the operator-splitting method for advection-diffusion problems is very accurate for determining the advected field at extremely high Peclet number (Pe). The technique presented is considered to have great potential for solving advection-dominated problems, while the Langrangian method is more accurate for lower Pe. It is noted that the accuracy of these characteristics-based methods strongly depends on the quality of interpolation. The computational time for the operator-splitting method grows with the number of time steps employed. The Langrangian method was used for simulations of convection at very high Ra, up to 3 x 10 to the 9th, and time-dependent, thermal convection solutions were obtained for infinite Prandtl number.

Malevsky, A. V.↗
DOE OSTI2022

An investigation of the multi-mode Richtmyer-Meshkov instability at a gas/HE interface using Pagosa

Here, in this work, we present a hydrocode Pagosa and explore the Richtmyer-Meshkov Instability (RMI) at an air/high explosive (HE) interface for the first time that is important but has not received much attention yet in the high explosive safety field. Thus, the presented Pagosa can be expected to predict the whole deflagration-to-detonation transition (DDT) process in future. In Pagosa, spatial discretization is implemented on cubic staggered grids by computing different variables at the vertex and the cell center, respectively, a special operator-splitting technique is employed to reduce the computational cost, and an artificial viscosity is added to handle the discontinuous shock waves in our simulations. To quantitatively evaluate the capability of Pagosa to solve these kinds of instabilities, the single mode Rayleigh-Taylor instability (RTI) and the multimode RMI at an air/SF 6 interface are first performed, respectively. The Pagosa results are compared with the related numerical solutions in the existing references and the experimental result. Moreover, a theoretical derivation of growth of RTI is also provided based on our numerical method. Subsequently, we explore the multi-mode RMI at an air/HE interface as well as the effects of several factors using Pagosa. Numerical results show that Pagosa is a powerful toolset to generate the right structures and the amplitude of RTI and RMI at an air/SF 6 interface. The solid HE can be penetrated by a strong shock wave and forms RMI deformations. The RMI at an air/HE interface behaves very different than at an air/SF 6 interface, periodic, decreased oscillation is observed due to material character, and is very sensitive to the initial simulation settings, that is, a tiny change in physical quantities will lead to a remarkable RMI structure, which is also observed in a shock bubble interaction. The findings in this work are significant, and will present a new insight for the high explosive field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Time-discretization of a plasma-neutral MHD model with a semi-implicit leapfrog algorithm

The semi-implicit leapfrog time-discretization is a workhorse algorithm for initial-value MHD codes to bridge between vastly separated time scales. Inclusion of atomic interactions with neutrals breaks the functional structure of the MHD equations that exploited by the leapfrog. In this work, we address how to best integrate atomic physics into the semi-implicit leapfrog. Following the Crank-Nicolson method, one approach is to time-center the atomic interactions in the linear solver and use a Newton method to include the nonlinear contributions. Alternatively, another family of methods are based on operator-splitting the terms associated with the atomic interactions using a Strang-splitting technique. These methods naturally break equations into constituent ODE and PDE parts and preserve the structure exploited by the semi-implicit leapfrog. We study the accuracy and efficiency of these methods through a battery of 0D and 1D cases and show that a second-order-in-time Douglas-Rachford inspired coupling between the ODE and PDE advances is effective in reducing the time-discretization error to be comparable to that of Crank-Nicolson with Newton iteration of the nonlinear terms. Splitting ODE and PDE parts results in independent matrix solves for each field which reduces the computational cost considerably and provides parallelization over species relative to Crank-Nicolson.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Accurately simulating nine-dimensional phase space of relativistic particles in strong fields

Next-generation high-power laser systems that can be focused to ultra-high intensities exceeding 10 23 W/cm 2 are enabling new physics regimes and applications. The physics of how these lasers interact with matter is highly nonlinear, relativistic, and can involve lowest-order quantum effects. The current tool of choice for modeling these interactions is the particle-in-cell (PIC) method. In the presence of strong electromagnetic fields, the motion of charged particles and their spin is affected by radiation reaction (either the semi-classical or the quantum limit). Standard (PIC) codes usually use Boris or similar operator-splitting methods to advance the particles in standard phase space. These methods have been shown to require very small time steps in the strong-field regime in order to obtain accurate results. In addition, some problems require tracking the spin of particles, which creates a nine-dimensional (9D) particle phase space, i.e., (x, u, s). Therefore, numerical algorithms that enable high-fidelity modeling of the 9D phase space in the strong-field regime (where both the spin and momentum evolution are affected by radiation reaction) are desired. Here we present a new particle pusher that works in 9D and 6D phase space (i.e., with and without spin) based on analytical rather than leapfrog solutions to the momentum and spin advance from the Lorentz force, together with the semi-classical form of radiation reaction in the Landau-Lifshitz equation and spin evolution given by the Bargmann-Michel-Telegdi equation. Analytical solutions for the position advance are also obtained, but these are not amenable to the staggering of space and time in standard PIC codes. These analytical solutions are obtained by assuming a locally uniform and constant electromagnetic field during a time step. The solutions provide the 9D phase space advance in terms of a particle's proper time, and a mapping is used to determine the proper time step duration for each particle as a function of the lab frame time step. Due to the analytical integration of particle trajectory and spin orbit, the constraint on the time step needed to resolve trajectories in ultra-high fields can be greatly reduced. The time step required in a PIC code for accurately advancing the fields may provide additional constraints. We present single-particle simulations to show that the proposed particle pusher can greatly improve the accuracy of particle trajectories in 6D or 9D phase space for given laser fields. We have implemented the new pusher into the PIC code Osiris. Example simulations show that the proposed pusher provides improvement for a given time step. A discussion on the numerical efficiency of the proposed pusher is also provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

An asymptotic-preserving 2D-2P relativistic Drift-Kinetic-Equation solver for runaway electron simulations in axisymmetric tokamaks

We propose an asymptotic-preserving (AP), uniformly convergent numerical scheme for the relativistic collisional Drift-Kinetic Equation (rDKE) to simulate runaway electrons in axisymmetric toroidal magnetic field geometries typical of tokamak devices. The approach is derived from an exact Green's function solution with numerical approximations of quantifiable impact, and results in a simple, two-step operator-split algorithm, consisting of a collisional Eulerian step, and a Lagrangian orbit-integration step with analytically prescribed kernels. The AP character of the approach is demonstrated by analysis of the dominant numerical errors, as well as by numerical experiments. We demonstrate the ability of the algorithm to provide accurate answers regardless of plasma collisionality on a circular axisymmetric tokamak geometry.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A scalable multidimensional fully implicit solver for Hall magnetohydrodynamics

We propose an optimally performant fully implicit algorithm for the Hall magnetohydrodynamics (HMHD) equations based on multigrid-preconditioned Jacobian-free Newton-Krylov methods. HMHD is a challenging system to solve numerically because it supports stiff fast dispersive waves. The preconditioner is formulated using an operator-split approximate block factorization (Schur complement), informed by physics insight. We use a vector-potential formulation (instead of a magnetic field one) to allow a clean segregation of the problematic $\nabla$ x $\nabla$ x operator in the electron Ohm's law subsystem. This segregation allows the formulation of an effective damped block-Jacobi smoother for multigrid. We demonstrate by analysis that our proposed block-Jacobi iteration is convergent and has the smoothing property. The resulting HMHD solver is verified linearly with wave propagation examples, and nonlinearly with the GEM challenge reconnection problem by comparison against another HMHD code. We demonstrate the excellent algorithmic and parallel performance of the algorithm up to 16384 MPI tasks in two dimensions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Discretization Writeup for Grey Flux-Limited Radiation Diffusion

This report documents the time and space discretizations for grey flux-limited diffusion applied to the thermal radiative transfer (TRT) equations. We begin with a description of the physics being solved before moving into the diffusion approximation. Once we have the TRT system, we show a finite-volume-inspired discretization from Jim Morel (Texas A&M University, NUEN 627 class notes, lecture 8). As systems become hotter they emit more photons in the form of blackbody radiation. Because average photon energy of the blackbody source is proportional to the temperature of the system, we call these thermal photons or thermal radiation. As material temperatures increase, increasing fractions of the total energy in the system go into the radiation field. In addition, radiation can deposit energy and momentum non-locally, making it an important phenomenon for heating and impulse. In order to accurately study systems at high temperatures, we wish to add the physics of thermal radiation to our hydrodynamic system. In practice, coupling radiation and hydrodynamics is often done by operator-splitting each timestep into two consecutive, non-overlapping phases: (1) update the hydrodynamics for a fixed radiation state (2) update the radiation and internal energy for an otherwise fixed hydrodynamic state. Because of this clean separation of physics updates, in this report we show only the latter phase, which involves solely the TRT equations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Toward Higher-order Accuracy in Self-gravitating Hydrodynamics

High-order algorithms have emerged in numerical astrophysics as a promising avenue to reduce truncation error (proportional to a power of the linear resolution Δ x ) with only a moderate increase to computational expense. Significant effort has been placed in the development of finite-volume algorithms for (magneto)hydrodynamics; however, state-of-the-art astrophysical simulations tightly couple a plenitude of physics, additionally including gravity, photon transport, cosmic-ray transport, chemistry, and/or diffusion, to name a few. Algorithms frequently operator-split this additional physics (often a first-order error in time) and/or adopt a model wherein their evaluation is limited to second-order accuracy in space. In this work, we present a fourth-order-accurate finite-volume scheme for self-gravitating hydrodynamics on a uniform Cartesian grid. The method supplies source terms for the gravitational acceleration ( ρ g ) and gravitational energy release ( ρ v · g ) associated with fourth-order-accurate solutions to the Poisson equation. Our scheme (1) guarantees the conservation of total linear momentum while (2) decreasing (in proportion to Δ x 4 ) the effects of spurious heating and/or cooling associated with truncation error in the gravity. We demonstrate expected convergence rates for the algorithm by measuring errors in test problems evolving self-gravity modified linear waves and 3D polytropic equilibria. We test robustness of the algorithm by integrating an induced “inside-out” adiabatic collapse. We also discuss a method to smoothly downgrade the solution to second-order spatial accuracy to avoid spurious overshoots near steep density and/or pressure gradients.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

thornado+FLASH-X: A Hybrid Discontinuous Galerkin–Implicit-explicit and Finite-volume Framework for Neutrino-radiation Hydrodynamics in Core-collapse Supernovae

We present neutrino-transport algorithms implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado) and their coupling to self-gravitating hydrodynamics within the adaptive mesh refinement–based multiphysics simulation framework FLASH-X. thornado, developed primarily for simulations of core-collapse supernovae (CCSNe), employs a spectral, six-species two-moment formulation with algebraic closure and special-relativistic observer corrections accurate to $\mathcal{O}(v/c)$, and uses discontinuous Galerkin (DG) methods for phase-space discretization combined with implicit-explicit time stepping. A key development is a nonlinear neutrino–matter coupling algorithm based on nested fixed-point iteration with Anderson acceleration, enabling fully implicit treatment of collisional processes, including energy-coupling interactions such as neutrino–electron scattering and pair production. Coupling to finite-volume (FV) hydrodynamics is achieved through a hybrid DG-FV representation of the fluid variables and operator-split evolution within FLASH-X. The implementation is verified using basic transport tests with idealized opacities and relaxation and deleptonization problems with tabulated microphysics. Spherically symmetric CCSN simulations demonstrate accuracy and robustness of the coupled scheme, including close agreement with the CCSN simulation code Chimera. An axisymmetric CCSN simulation further demonstrates the viability of DG-based neutrino transport for multidimensional supernova modeling within FLASH-X. thornado’s neutrino-transport solver is GPU-enabled using OpenMP offloading or OpenACC, and all CCSN applications included in this work use the GPU implementation. Together, these results establish a foundation for future enhancements in physics fidelity, numerical algorithms, and computational performance, for increasingly realistic large-scale CCSN simulations.

Endeve, Eirik [Oak Ridge National Laboratory (ORNL↗
NASA NTRS1987

Numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory

A review of numerical methods for one-dimensional reaction-diffusion equations arising in combustion theory is presented. The methods reviewed include explicit, implicit, quasi-linearization, time linearization, operator-splitting, random walk and finite-element techniques and methods of lines. Adaptive and nonadaptive procedures are also reviewed. These techniques are applied first to solve two model problems which have exact traveling wave solutions with which the numerical results can be compared. This comparison is performed in terms of both the wave profile and computed wave speed. It is shown that the computed wave speed is not a good indicator of the accuracy of a particular method. A fourth-order time-linearized, Hermitian compact operator technique is found to be the most accurate method for a variety of time and space sizes.

Ramos, J. I.↗
NASA NTRS1991

A novel gas-droplet numerical method for spray combustion

This paper presents a non-iterative numerical technique for computing time-dependent gas-droplet flows. The method is a fully-interacting combination of Eulerian fluid and Lagrangian particle calculation. The interaction calculations between the two phases are formulated on a pressure-velocity coupling procedure based on the operator-splitting technique. This procedure eliminates the global iterations required in the conventional particle-source-in-cell (PSIC) procedure. Turbulent dispersion calculations are treated by a stochastic procedure. Numerical calculations and comparisons with available experimental data, as well as efficiency assessments are given for some sprays typical of spray combustion applications.

Chen, C. P.↗
NASA NTRS1991

A computer code for multiphase all-speed transient flows in complex geometries. MAST version 1.0

The operation of the MAST code, which computes transient solutions to the multiphase flow equations applicable to all-speed flows, is described. Two-phase flows are formulated based on the Eulerian-Lagrange scheme in which the continuous phase is described by the Navier-Stokes equation (or Reynolds equations for turbulent flows). Dispersed phase is formulated by a Lagrangian tracking scheme. The numerical solution algorithms utilized for fluid flows is a newly developed pressure-implicit algorithm based on the operator-splitting technique in generalized nonorthogonal coordinates. This operator split allows separate operation on each of the variable fields to handle pressure-velocity coupling. The obtained pressure correction equation has the hyperbolic nature and is effective for Mach numbers ranging from the incompressible limit to supersonic flow regimes. The present code adopts a nonstaggered grid arrangement; thus, the velocity components and other dependent variables are collocated at the same grid. A sequence of benchmark-quality problems, including incompressible, subsonic, transonic, supersonic, gas-droplet two-phase flows, as well as spray-combustion problems, were performed to demonstrate the robustness and accuracy of the present code.

Chen, C. P.↗
NASA NTRS1992

Numerical modeling for dilute and dense sprays

We have successfully implemented a numerical model for spray-combustion calculations. In this model, the governing gas-phase equations in Eulerian coordinate are solved by a time-marching multiple pressure correction procedure based on the operator-splitting technique. The droplet-phase equations in Lagrangian coordinate are solved by a stochastic discrete particle technique. In order to simplify the calculation procedure for the circulating droplets, the effective conductivity model is utilized. The k-epsilon models are utilized to characterize the time and length scales of the gas phase in conjunction with turbulent modulation by droplets and droplet dispersion by turbulence. This method entails random sampling of instantaneous gas flow properties and the stochastic process requires a large number of computational parcels to produce the satisfactory dispersion distributions even for rather dilute sprays. Two major improvements in spray combustion modelings were made. Firstly, we have developed a probability density function approach in multidimensional space to represent a specific computational particle. Secondly, we incorporate the Taylor Analogy Breakup (TAB) model for handling the dense spray effects. This breakup model is based on the reasonable assumption that atomization and drop breakup are indistinguishable processes within a dense spray near the nozzle exit. Accordingly, atomization is prescribed by injecting drops which have a characteristic size equal to the nozzle exit diameter. Example problems include the nearly homogeneous and inhomogeneous turbulent particle dispersion, and the non-evaporating, evaporating, and burning dense sprays. Comparison with experimental data will be discussed in detail.

Chen, C. P.↗
NASA NTRS1992

A pressure correction method for the calculation of compressible chemical reacting flows

A recently developed noniterative method for the solution of the transient fluid flow equations at all speed is extended to handle chemical reacting flows. The species conservation equations are loosely coupled into the predictor/multicorrector sequence of the solution procedure. A split-operator method separates the chemical kinetics terms from the fluid-dynamical terms, as well as an implicit differencing method enhance the numerical stability. The method was applied for turbulent diffusion flame calculations and for the analyses of high pressure, axisymmetric turbulent hypersonic nozzle flows. The diffusion flame results were compared with a similar pressure method for fast chemistry integration scheme without operator-splitting. Simulations of the nozzle flow indicated that the nonideal intermolecular effects must be included in the analysis and design of high pressure hypersonic nozzle.

Chen, Z. J.↗
NASA NTRS1992

An efficient pressure-velocity procedure for gas-droplet two-phase flow calculations

This paper presents a noniterative numerical technique for computing time-dependent gas-droplet flows. The method is a fully interacting combination of Eulerian fluid and Lagrangian particle calculations. The interaction calculations between the two phases are formulated on a pressure-velocity-coupling procedure based on the operator-splitting technique. This procedure eliminates the global iterations required in the conventional particle-source-in-cell procedure. Turbulent dispersion calculations are treated by a stochastic procedure. Numerical calculations and comparisons with available experimental data as well as efficiency assessments are given for some sprays typical of spray combustion applications.

Chen, C. P.↗
NASA NTRS1992

Characterization and modeling for dilute and dense sprays

The present numerical modeling of dilute and dense spray combustion solves the governing gas-phase equations in Eulerian coordinates by means of a time-marching multiple pressure correction procedure that is based on the operator-splitting technique. A sequence of validating cases involving (1) nonevaporating, (2) evaporating, (3) burning, (4) dilute, and (5) dense spray cases is undertaken; it is found that in the combusting dilute spray case, the present procedure correctly predicts the general features of flows and yields qualitative agreement with experimental data. In the other cases, reasonably good agreement with experimental results is obtained.

Chen, C. P.↗