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NASA NTRS1992

FDDO and DSMC analyses of rarefied gas flow through 2D nozzles

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas expanding through a two-dimensional nozzle and into a surrounding low-density environment. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, the variable hard sphere model is used as a molecular model and the no time counter method is employed as a collision sampling technique. The results of both the FDDO and the DSMC methods show good agreement. The FDDO method requires less computational effort than the DSMC method by factors of 10 to 40 in CPU time, depending on the degree of rarefaction.

Chung, Chan-Hong↗

NASA NTRS1990

Numerical simulation of rarefied gas flow through a slit

Two different approaches, the finite-difference method coupled with the discrete-ordinate method (FDDO), and the direct-simulation Monte Carlo (DSMC) method, are used in the analysis of the flow of a rarefied gas from one reservoir to another through a two-dimensional slit. The cases considered are for hard vacuum downstream pressure, finite pressure ratios, and isobaric pressure with thermal diffusion, which are not well established in spite of the simplicity of the flow field. In the FDDO analysis, by employing the discrete-ordinate method, the Boltzmann equation simplified by a model collision integral is transformed to a set of partial differential equations which are continuous in physical space but are point functions in molecular velocity space. The set of partial differential equations are solved by means of a finite-difference approximation. In the DSMC analysis, three kinds of collision sampling techniques, the time counter (TC) method, the null collision (NC) method, and the no time counter (NTC) method, are used.

Keith, Theo G., Jr.↗

NASA NTRS1978

Solar spectral irradiance at ground level

Available quantitative data on solar total and spectral irradiance is examined in the context of utilization of solar irradiance for terrestrial applications of solar energy. A brief review is given on the extraterrestrial solar total and spectral irradiance values. Computed values of solar spectral irradiance at ground level for different air mass values and various levels of atmospheric pollution or turbidity are also presented. Wavelengths are given for computation of solar absorptance, transmittance and reflectance by the 100-selected-ordinate method and by the 50-selected-ordinate method from air mass two solar spectral irradiance for the four degrees of atmospheric pollution. Total solar spectral irradiance measured with a prism monochromator is examined to evaluate the direct solar spectral irradiance for a surface normal to the sun's rays and to compare the computed spectrum with the experimentally observed one.

Mecherikunnel, A. T.↗

NASA NTRS1980

Spectral distribution of solar radiation

Available quantitative data on solar total and spectral irradiance are examined in the context of utilization of solar irradiance for terrestrial applications of solar energy. The extraterrestrial solar total and spectral irradiance values are also reviewed. Computed values of solar spectral irradiance at ground level for different air mass values and various levels of atmospheric pollution or turbidity are presented. Wavelengths are given for computation of solar, absorptance, transmittance and reflectance by the 100 selected-ordinate method and by the 50 selected-ordinate method for air mass 1.5 and 2 solar spectral irradiance for the four levels of atmospheric pollution.

Mecherikunnel, A. T.↗

NASA NTRS1993

CFD Analysis of Spray Combustion and Radiation in OMV Thrust Chamber

The Variable Thrust Engine (VTE), developed by TRW, for the Orbit Maneuvering Vehicle (OMV) uses a hypergolic propellant combination of Monomethyl Hydrazine (MMH) and Nitrogen Tetroxide (NTO) as fuel and oxidizer, respectively. The propellants are pressure fed into the combustion chamber through a single pintle injection element. The performance of this engine is dependent on the pintle geometry and a number of complex physical phenomena and their mutual interactions. The most important among these are (1) atomization of the liquid jets into fine droplets; (2) the motion of these droplets in the gas field; (3) vaporization of the droplets (4) turbulent mixing of the fuel and oxidizer; and (5) hypergolic reaction between MMH and NTO. Each of the above phenomena by itself poses a considerable challenge to the technical community. In a reactive flow field of the kind occurring inside the VTE, the mutual interactions between these physical processes tend to further complicate the analysis. The objective of this work is to develop a comprehensive mathematical modeling methodology to analyze the flow field within the VTE. Using this model, the effect of flow parameters on various physical processes such as atomization, spray dynamics, combustion, and radiation is studied. This information can then be used to optimize design parameters and thus improve the performance of the engine. The REFLEQS CFD Code is used for solving the fluid dynamic equations. The spray dynamics is modeled using the Eulerian-Lagrangian approach. The discrete ordinate method with 12 ordinate directions is used to predict the radiative heat transfer in the OMV combustion chamber, nozzle, and the heat shield. The hypergolic reaction between MMH and NTO is predicted using an equilibrium chemistry model with 13 species. The results indicate that mixing and combustion is very sensitive to the droplet size. Smaller droplets evaporate faster than bigger droplets, leading to a well mixed zone in the combustion chamber. The radiative heat flux at combustion chamber and nozzle walls are an order of negligible less than the conductive heat flux. Simulations performed with the heat shield show that a negligible amount of fluid is entrained into the heat shield region. However, the heat shield is shown to be effective in protecting the OMV structure surrounding the engine from the radiated heat.

Giridharan, M. G.↗

NASA NTRS2011

Analysis of the Radiative Transfer Equation with Highly Asymmetric Phase Function

This paper considers a scalar radiative transfer problem with high scattering anisotropy, Two computational methods are presented based on decomposition of the diffuse light field into a regular and anisotropic part. The first algorithm (DOMAS) singles out the anisotropic radiance in the forward scattering peak using the Small-Angle Modification of RTE. The second algorithm (DOM2+) separates the single scattering radiance as an anisotropic part, which largely defines the fine detail of the total radiance in the backscattering directions. In both cases, the anisotropic part is represented analytically. With anisotropy subtraction, the regular part of the signal. which requires a numerical solution, is essentially smoothed as a function of angles. Further, the transport equation is obtained for the regular part that contains an additional source function from the anisotropic part of the signal. This equation is solved with the discrete ordinates method. A conducted numerical analysis of this work showed that algorithm DOMAS has a strong advantage as compared to the standard discrete ordinates method for simulation of the radiance transmission, and DOM2 + is the best of the three for the reflection computations. Both algorithms offer at least a factor of three acceleration of convergence of the azimuthal series for highly anisotropic phase functions.

Korkin, Sergey V.↗

NASA NTRS2019

Electromagnetic Scattering by Discrete Random Media. IV: Coherent Backscattering

The problem of backscattering of light by a discrete random medium illuminated by an obliquely incident plane electromagnetic wave is considered.The analysis is performed in a linear-polarization basis and includes a complete derivation of the cross reflection matrix for a layer with densely and sparsely distributed particles, the design of an approximate method for computing the ladder and cross reflection matrices in the case of a semi-infinite medium with a sparse distribution of particles, the derivation of the relations between the elements of the ladder and cross reflection matrices in the exact backscattering direction for dense and sparse media, and the development of practical algorithms for solving the underlying integral equations by the method of Picard iterations and the discrete ordinate method. Simulation results for particles with large size parameters are also presented.

Adrian Doicu↗

NASA NTRS2014

APC: A New Code for Atmospheric Polarization Computations

A new polarized radiative transfer code Atmospheric Polarization Computations (APC) is described. The code is based on separation of the diffuse light field into anisotropic and smooth (regular) parts. The anisotropic part is computed analytically. The smooth regular part is computed numerically using the discrete ordinates method. Vertical stratification of the atmosphere, common types of bidirectional surface reflection and scattering by spherical particles or spheroids are included. A particular consideration is given to computation of the bidirectional polarization distribution function (BPDF) of the waved ocean surface.

surface reflection↗

DOE OSTI2021

Predicting large-scale pool fire dynamics using an unsteady flamelet- and large-eddy simulation-based model suite

A low-Mach, unstructured, large-eddy-simulation-based, unsteady flamelet approach with a generalized heat loss combustion methodology (including soot generation and consumption mechanisms) is deployed to support a large-scale, quiescent, 5-m JP-8 pool fire validation study. The quiescent pool fire validation study deploys solution sensitivity procedures, i.e., the effect of mesh and time step refinement on capturing key fire dynamics such as fingering and puffing, as mesh resolutions approach O(1) cm. A novel design-order, discrete-ordinate-method discretization methodology is established by use of an analytical thermal/participating media radiation solution on both low-order hexahedral and tetrahedral mesh topologies in addition to quadratic hexahedral elements. Here, the coupling between heat losses and the flamelet thermochemical state is achieved by augmenting the unsteady flamelet equation set with a heat loss source term. Soot and radiation source terms are determined using flamelet approaches for the full range of heat losses experienced in fire applications including radiative extinction. The proposed modeling and simulation paradigm are validated using pool surface radiative heat flux, maximum centerline temperature location, and puffing frequency data, all of which are predicted within 10% accuracy. Simulations demonstrate that under-resolved meshes predict an overly conservative radiative heat flux magnitude with improved comparisons as compared to a previously deployed hybrid Reynolds-averaged Navier–Stokes/eddy dissipation concept-based methodology.

42 ENGINEERING↗

NASA NTRS2020

Electromagnetic Scattering by Discrete Random Media Illuminated by a Gaussian Beam II: Solution of the Radiative Transfer Equation

In this paper, we present numerical methods for solving the phenomenological scalar radiative transfer equation for a discrete random medium illuminated by a Gaussian beam. These rely on the Fourier transform method for the horizontal variables and the discrete ordinate method with matrix exponential for solving the underlying one-dimensional radiative transfer equation in the wavenumber domain. The problem of a Gaussian beam at oblique and normal incidence, as well as, the searchlight problem are treated. A complete description of the methods and the numerical algorithms is provided.

Gaussian beam↗

DOE OSTI2022

Initial Investigation of Coupled Electron-Photon Transport with SCEPTRE and RAPTURE (Rev.1.1)

The SCEPTRE1 code models coupled photon and electron transport in material media using discrete ordinates methods. The code can use different solvers in 1D and 3D in parallel, promising users the ability to run problems that are significant both in physics and computational scale. One capability that is perhaps unique at this time in the NNSA complex is SCEPTRE’s coupled photon– electron transport physics in a discrete ordinates approach. For example, incident x–rays can generate a significant electron population, whose transport can be simulated within the same code. In this context, fully–coupled means that photons can produce electrons and electrons can produce photons; uncoupled or no–coupling means photons do not produce electrons. Partial–coupling, an intermediate option in which photons can produce electrons but electrons do not produce photons, is not considered in the present work. The MCNP code can treat this physics with a Monte Carlo approach. MCNP should be viewed as complementary to SCEPTRE in both computational method (Monte Carlo versus discrete ordinates) as well as data libraries. SCEPTRE and MCNP should provide important checks on each other, especially from complementary modeling frameworks of a S n (discrete ordinates) mesh based method versus Monte Carlo particle based method. In order to learn more about SCEPTRE, and how it might inform engineering work at the Laboratory, we used it to carry out a set of initial studies. This was a series of 1D simulations of photon beams hitting Aluminum slabs. Our studies mainly used SCEPTRE directly, and made little use of the closely associated RAPTURE code (more on this below). The goals of these studies were first, to familiarize ourselves with operating the code, and second, to begin to assess the importance of coupled electron–photon transport. To support these studies, we began to develop a set of scripts to initialize inputs, run tools, process outputs, and plot results. An initial version of these scripts has been committed to the Lightning workflow repository. This memo relates the results of those studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1978

The phase-integral method for radiative transfer problems with highly-peaked phase functions

Complete solutions to the radiative transfer equation, including both azimuth and depth dependence, are provided by the discrete-ordinate method of Chandrasekhar, but these solutions are often limited because of large computer requirements. This paper presents a 'phase-integral' method which greatly reduces the number of discrete ordinates needed in the solution for highly peaked phase functions. A composite quadrature method is shown to be effective in further reducing the number of discrete ordinates required for highly anisotropic phase functions. Examples are given to indicate convergence requirements and expected accuracy in the complete solution for Henyey-Greenstein and cloud-type phase functions.

Fricke, C. L.↗

DOE OSTI2024

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

Forward Monte Carlo Computations of Polarized Microwave Radiation

Microwave radiative transfer computations continue to acquire greater importance as the emphasis in remote sensing shifts towards the understanding of microphysical properties of clouds and with these to better understand the non linear relation between rainfall rates and satellite-observed radiance. A first step toward realistic radiative simulations has been the introduction of techniques capable of treating 3-dimensional geometry being generated by ever more sophisticated cloud resolving models. To date, a series of numerical codes have been developed to treat spherical and randomly oriented axisymmetric particles. Backward and backward-forward Monte Carlo methods are, indeed, efficient in this field. These methods, however, cannot deal properly with oriented particles, which seem to play an important role in polarization signatures over stratiform precipitation. Moreover, beyond the polarization channel, the next generation of fully polarimetric radiometers challenges us to better understand the behavior of the last two Stokes parameters as well. In order to solve the vector radiative transfer equation, one-dimensional numerical models have been developed, These codes, unfortunately, consider the atmosphere as horizontally homogeneous with horizontally infinite plane parallel layers. The next development step for microwave radiative transfer codes must be fully polarized 3-D methods. Recently a 3-D polarized radiative transfer model based on the discrete ordinate method was presented. A forward MC code was developed that treats oriented nonspherical hydrometeors, but only for plane-parallel situations.

Battaglia, A.↗

DOE OSTI2026

Multidimensional scaling informed by F -statistic: Visualizing grouped microbiome data with inference

Multidimensional scaling (MDS) is a widely used dimensionality reduction technique in microbial ecology data analysis that captures the multivariate structure of the data while preserving pairwise distances between samples. While improvements in MDS have enhanced the ability to reveal group-specific data patterns, these MDS-based methods require prior assumptions for inference, limiting their application in general microbiome analysis. Here, in this study, we introduce a new MDS-based ordination method, “F-informed MDS,” which configures the data distribution based on the F-statistic, the ratio of dispersion between groups sharing common and different characteristics. Using semisynthetic datasets, we demonstrate that the proposed method is robust to hyperparameter selection while maintaining statistical significance throughout the ordination process. Various quality metrics for evaluating dimensionality reduction confirm that F-informed MDS is comparable to state-of-the-art methods in preserving both local and global data structures. Its application to a diatom-associated bacterial community suggests the role of this new method in interpreting the community’s response to the host. Our approach offers a well-founded refinement of MDS that aligns with statistical test results, which can be beneficial for broader multidimensional data analyses in microbiology and ecology. This new visualization tool can be incorporated into standard microbiome data analyses.

Biological and medical sciences↗

NASA NTRS1972

Calculation of the lunar photon albedo from galactic and solar proton bombardment.

The lunar photon albedo due to cosmogenic and primordial photon sources has been calculated. The individual photon leakage spectra from prompt photons produced by galactic cosmic ray (GCR) and solar cosmic ray (SCR) induced nuclear interactions, from the decay of GCR- and SCR-induced radionuclides, and from the decay of naturally occurring radionuclides are given. An approximate estimate of the leakage from the photon-electron cascade initiated by the decay of neutral pions is also given. Monte Carlo methods have been used to determine the nucleon-meson cascade, and discrete-ordinates methods were used for the photon and low-energy neutron transport.

Armstrong, T. W.↗

DOE OSTI2023

KiT-RT: An Extendable Framework for Radiative Transfer and Therapy

Here, in this article, we present Kinetic Transport Solver for Radiation Therapy (KiT-RT), an open-source C++-based framework for solving kinetic equations in therapy applications available at https://github.com/CSMMLab/KiT-RT . This software framework aims to provide a collection of classical deterministic solvers for unstructured meshes that allow for easy extendability. Therefore, KiT-RT is a convenient base to test new numerical methods in various applications and compare them against conventional solvers. The implementation includes spherical harmonics, minimal entropy, neural minimal entropy, and discrete ordinates methods. Solution characteristics and efficiency are presented through several test cases ranging from radiation transport to electron radiation therapy. Due to the variety of included numerical methods and easy extendability, the presented open-source code is attractive for both developers, who want a basis to build their numerical solvers, and users or application engineers, who want to gain experimental insights without directly interfering with the codebase.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Single Grid Error Estimation for Neutron Transport Solvers

The method of nearby problems (MNP) is a solution verification technique that does not require the use of multiple spatial grids. To estimate spatial discretization error without requiring a high-fidelity spatial grid, an analytical curve fit is interpolated from the numerical solution. The residual between the curve fit solution and numerical solution is calculated and added as an additional source term to the governing equation. The nearby solution is estimated using the updated source term and boundary conditions to remain consistent with the curve fit interpolation. The nearby solution can be compared to the curve fit solution as a discretization error estimation while using a single spatial grid. Without the use of higher fidelity spatial grids, the MNP is able to approximate the spatial discretization error, a facet of solution verification. The application of the method of nearby problems is presented for one- and two-dimensional neutron transport problems for both fixed source and criticality problems on the spatial variable. The fixed source results demonstrate the effectiveness of nearby problems for spatial error identification using the discrete ordinates method. Criticality results are shown to identify area of high spatial error for the C5G7 problem as well as for the discrete ordinates solver. A novel approach of combining the capabilities of Monte Carlo with the discrete ordinates nearby problems is presented for one- and two-dimensional fixed source problems. In conclusion, the MNP demonstrates its effectiveness at identifying spatial error on a single structured grid with a wide variety of neutron transport problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗