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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2010

Testing nuclear parton distributions with pA collisions at the TeV scale

Global perturbative QCD analyses, based on large data sets from electron-proton and hadron collider experiments, provide tight constraints on the parton distribution function (PDF) in the proton. The extension of these analyses to nuclear parton distribution functions (nPDFs) has attracted much interest in recent years. nPDFs are needed as benchmarks for the characterization of hot QCD matter in nucleus-nucleus collisions, and attract further interest since they may show novel signatures of nonlinear density-dependent QCD evolution. However, it is not known from first principles whether the factorization of long-range phenomena into process-independent parton distribution, which underlies global PDF extractions for the proton, extends to nuclear effects. As a consequence, assessing the reliability of nPDFs for benchmark calculations goes beyond testing the numerical accuracy of their extraction and requires phenomenological tests of the factorization assumption. Here, we argue that a proton-nucleus collision program at the Large Hadron Collider would provide a set of measurements, which allow for unprecedented tests of the factorization assumption, underlying global nPDF fits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

GPU-accelerated 3D neutron diffusion code based on finite difference method

Finite difference method, as a traditional numerical solution to neutron diffusion equation, although considered simpler and more precise than the coarse mesh nodal methods, has a bottle neck to be widely applied caused by the huge memory and unendurable computation time it requires. In recent years, the concept of General-Purpose computation on GPUs has provided us with a powerful computational engine for scientific research. In this study, a GPU-Accelerated multi-group 3D neutron diffusion code based on finite difference method was developed. First, a clean-sheet neutron diffusion code (3DFD-CPU) was written in C++ on the CPU architecture, and later ported to GPUs under NVIDIA's CUDA platform (3DFD-GPU). The IAEA 3D PWR benchmark problem was calculated in the numerical test, where three different codes, including the original CPU-based sequential code, the HYPRE (High Performance Pre-conditioners)-based diffusion code and CITATION, were used as counterpoints to test the efficiency and accuracy of the GPU-based program. The results demonstrate both high efficiency and adequate accuracy of the GPU implementation for neutron diffusion equation. A speedup factor of about 46 times was obtained, using NVIDIA's Geforce GTX470 GPU card against a 2.50 GHz Intel Quad Q9300 CPU processor. Compared with the HYPRE-based code performing in parallel on an 8-core tower server, the speedup of about 2 still could be observed. More encouragingly, without any mathematical acceleration technology, the GPU implementation ran about 5 times faster than CITATION which was speeded up by using the SOR method and Chebyshev extrapolation technique. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Evaluation of the toroidal torque driven by external non-resonant non-axisymmetric magnetic field perturbations in a tokamak

The toroidal torque driven by external non-resonant magnetic perturbations (neoclassical toroidal viscosity) is an important momentum source affecting the toroidal plasma rotation in tokamaks. The well-known force-flux relation directly links this torque to the non-ambipolar neoclassical particle fluxes arising due to the violation of the toroidal symmetry of the magnetic field. Here, a quasilinear approach for the numerical computation of these fluxes is described, which reduces the dimension of a standard neoclassical transport problem by one without model simplifications of the linearized drift kinetic equation. The only limiting condition is that the non-axisymmetric perturbation field is small enough such that the effect of the perturbation field on particle motion within the flux surface is negligible. Therefore, in addition to most of the transport regimes described by the banana (bounce averaged) kinetic equation also such regimes as, e.g., ripple-plateau and resonant diffusion regimes are naturally included in this approach. Based on this approach, a quasilinear version of the code NEO-2 [W. Kernbichler et al., Plasma Fusion Res. 3, S1061 (2008).] has been developed and benchmarked against a few analytical and numerical models. Results from NEO-2 stay in good agreement with results from these models in their pertinent range of validity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

An Analytic Benchmark for Neutron Boltzmann Transport with Downscattering—Part I: Flux and Eigenvalue Solutions

Computing in the energy dimension is one of the greatest challenges confronting present-day deterministic neutron transport solvers. Accurately resolving the neutron flux as neutrons downscatter across resonances in the nuclear cross sections currently requires considerable computing power and suffers from approximation errors. Flux uncertainty resulting from the uncertainty of the resonance structure is the single-largest cause of reactivity uncertainty. Any additional reference solution for the critical neutron downscattering problem with resonance phenomena would be a boon to verification and validation of neutronics codes. This paper establishes a benchmark to verify the accuracy of neutron transport criticality solvers along the energy dimension. For the first time, the analytic solution of the flux amplitude is derived in the particular case of an infinite homogeneous medium with isotropic scattering in the center of mass and an arbitrary number of no-threshold, neutral particle reaction resonances (e.g., radiative capture, fission, and resonance scattering). Furthermore, original analytic expressions are established to quantify the discrepancy between the ψ k (E) and ψ α (E) flux amplitudes, respective solutions of the multiplication factor k, or the exponential time-evolution frequency α eigenproblems. The physical study of these relations led to analysis of their first-order relative difference near the criticality condition α=0. Finally, numerical solutions are provided to a benchmark problem constituted of the first resonance of 239 Pu, the 6.67-eV resonance of 238 U, and a scattering isotope with a flat cross section, allowing for the computational verification of the energy resolution of current neutron transport criticality codes. Through these novel results, this analytic benchmark can serve as a reference to verify the energy resolution and sensitivity analysis of neutron transport criticality calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Design of an experimental breeder reactor run 138B reactor physics benchmark evaluation management application

Reactor Monte Carlo simulations present numerous challenges including input file generation and processing output files for relevant results. Creating an input file for a heterogeneous core is further complicated when using depleted fuel. Performing perturbations to geometry and material characteristics exacerbates the challenge due to human errors if the input files are manually generated. The difficulty of generating input files is often encountered during the process of performing a reactor physics benchmark evaluation. These challenges were encountered in this study when performing a reactor physics benchmark evaluation for the Experimental Breeder Reactor II (EBR-II), a sodium cooled fast reactor. The EBR-II Monte Carlo input file uses more than 1,000 unique material specifications and ~8,000 regions. To address the input file generation challenge, a computer application was designed to automate the input file generation process. The application utilizes user input from a graphical user interface in conjunction with spreadsheets containing material and geometric data to generate Monte Carlo input files. The application, called MICKA, was used to generate input files to support the reactor physics benchmark evaluation for EBR-II. This paper describes the reactor configuration and provides information about the application design and capabilities for addressing challenges often encountered in reactor physics benchmark evaluations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Analytical benchmark solution for 1-D neutron transport coupled with thermal conduction and material expansion

In this work we present fully analytical solutions for a class of finite, homogeneous, 1-D slab benchmark problems with nonlinear temperature feedback effects. The proposed class of benchmarks include multiplicative 1-D neutron transport (limited to quasistatic S{sub 2} with μ = ±1) coupled with thermal conduction, convection, Doppler broadening, and expansion effects along the length of the slab. This class of benchmark models, along with the corresponding analytical solutions, are valuable for validating multiphysics analysis frameworks that support coupled neutronics/thermal/structural calculations. Analytical solutions for the benchmarks are obtained by introducing an ansatz that the equilibrium flux and temperature distributions in the slab have the same shape. Specific values for the total microscopic cross section, σ{sub t,0}, and conductive heat transfer coefficient, h, that satisfy the assumed ansatz are then determined. A discussion of the procedure for generating benchmark models and analytical solutions is provided, along with numerical results for an example set of model parameters and thoughts on practical applications of the benchmarks for multiphysics code validation. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Contribution to the IRPHEP handbook since Physor 2018

The Organisation for Economic Co-operation and Development (OECD), the Nuclear Energy Agency (NEA), the International Reactor Physics Experiment Evaluation Project (IRPhEP) continue to preserve and evaluate integral reactor physics experiment data to support nuclear energy and technology needs. International contributions are collated within the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP Handbook). The 2021 edition of the IRPhEP Handbook now contains data for 57 unique nuclear facilities with benchmark specifications for 169 experimental series, of which four are draft evaluations. Distributed with the IRPhEP Handbook and available online is the IRPhEP Database and Analysis Tool (IDAT), allowing users to search and interrogate the data. Since Physor 2018, there have been 11 minor revisions to existing benchmark evaluations, significant revisions to two evaluations, one draft evaluation, and nine new evaluations. The corona virus pandemic has delayed international activities supporting the production of additional content for the IRPhEP Handbook. However, efforts continue for numerous endeavors to complete new reactor physics benchmark evaluations to support current and future validation needs. Those interested in serving as evaluators and/or reviewers are strongly encouraged to participate. This paper provides a summary of IRPhEP content and activities since Physor 2018. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Positivity Limiters for Filtered Spectral Approximations of Linear Kinetic Transport Equations

We analyze the properties and compare the performance of several positivity limiters for spectral approximations with respect to the angular variable of linear transport equations. It is well-known that spectral methods suffer from the occurrence of (unphysical) negative spatial particle concentrations due to the fact that the underlying polynomial approximations are not always positive at the kinetic level. Positivity limiters address this defect by enforcing positivity of the polynomial approximation on a finite set of preselected points. With a proper PDE solver, they ensure positivity of the particle concentration at each step in a time integration scheme. We review several known positivity limiters proposed in other contexts and also introduce a modification for one of them. We give error estimates for the consistency of the positive approximations produced by these limiters and compare the theoretical estimates to numerical results. We then solve two benchmark problems with these limiters, make qualitative and quantitative observations about the solutions, and then compare the efficiency of the different limiters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Crack Path Selection in Thermally Loaded Borosilicate/Steel Bibeam Specimen

Here, we have developed a novel specimen for studying crack paths in glass. Under certain conditions, the specimen reaches a state where the crack must select between multiple paths satisfying the K II = 0 condition. This path selection is a simple but challenging benchmark case for both analytical and numerical methods of predicting crack propagation. We document the development of the specimen, using an uncracked and instrumented test case to study the effect of adhesive choice and validate the accuracy of both a simple beam theory model and a finite element model. In addition, we present preliminary fracture test results and provide a comparison to the path predicted by two numerical methods (mesh restructuring and XFEM). The directional stability of the crack path and differences in kink angle predicted by various crack kinking criteria is analyzed with a finite element model.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Respecting causality for training physics-informed neural networks

While the popularity of physics-informed neural networks (PINNs) is steadily rising, to this date PINNs have not been successful in simulating dynamical systems whose solution exhibits multi-scale, chaotic or turbulent behavior. In this work we attribute this shortcoming to the inability of existing PINNs formulations to respect the spatio-temporal causal structure that is inherent to the evolution of physical systems. We argue that this is a fundamental limitation and a key source of error that can ultimately steer PINN models to converge towards erroneous solutions. We address this pathology by proposing a simple re-formulation of PINNs loss functions that can explicitly account for physical causality during model training. We demonstrate that this simple modification alone is enough to introduce significant accuracy improvements, as well as a practical quantitative mechanism for assessing the convergence of a PINNs model. Here we provide state-of-the-art numerical results across a series of benchmarks for which existing PINNs formulations fail, including the chaotic Lorenz system, the Kuramoto–Sivashinsky equation in the chaotic regime, and the Navier–Stokes equations. To the best of our knowledge, this is the first time that PINNs have been successful in simulating such systems, introducing new opportunities for their applicability to problems of industrial complexity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Verification of a magnetic island in gyro-kinetics by comparison with analytic theory

A rotating magnetic island is imposed in the gyrokinetic code GKW, when finite differences are used for the radial direction, in order to develop the predictions of analytic tearing mode theory and understand its limitations. The implementation is verified against analytics in sheared slab geometry with three numerical tests that are suggested as benchmark cases for every code that imposes a magnetic island. The convergence requirements to properly resolve physics around the island separatrix are investigated. In the slab geometry, at low magnetic shear, binormal flows inside the island can drive Kelvin-Helmholtz instabilities which prevent the formation of the steady state for which the analytic theory is formulated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set

We have used diffusion Monte Carlo (DMC) to perform calculations on the L7 benchmark set. DMC is a stochastic numerical integration scheme in real-space and part of a larger set of quantum Monte Carlo methods. The L7 set was designed to test the ability of electronic structure methods to include dispersive interactions. While the agreement between DMC and quantum-chemical state-of-the-art methods is excellent for some of the structures, there are significant differences in others. In contrast to wavefunction-based quantum chemical methods, DMC is a first-principle many-body method with the many-body wavefunction evolving in real space. It includes explicitly all electron–electron interactions and is relatively insensitive to the size of the basis set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Toward a unified description of hadron scattering at all energies

The construction of general amplitudes satisfying symmetries and S -matrix constraints has been the primary tool in studying the spectrum of hadrons for over half a century. In this work, we present a new parametrization, which can fulfill many expectations of S -matrix and Regge theory and connects the essential physics of hadron scattering in the resonance region and in asymptotic limits. In this construction, dynamical information is entirely contained in Regge trajectories that generalize resonance poles in the complex energy plane to moving poles in the angular momentum plane. We highlight the salient features of the model, compare with existing literature on dispersive and dual amplitudes, and benchmark the formalism with an initial numerical application to the ρ and σ / f 0 ( 500 ) mesons in π π scattering. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Comparing the MELCOR Aerosol Deposition Model with Exact Analytical Solutions

Exact analytical solutions are presented for the evolution of the aerosol particle mass density function in a control volume for particle deposition due to gravitational settling, thermophoresis, and diffusion. The solutions are for arbitrary initial mass density functions and are applied for an initial lognormal density function. Integration of these solutions provides the suspended mass in the control volume as a function of time. These solutions serve as an exact benchmark to assess the accuracy of numerical methods. For the numerical algorithm used in MELCOR, excellent agreement is obtained for gravitational settling, diffusive deposition, and thermophoretic deposition for the suspended aerosol mass. In all cases, the default number of discrete particle size bins of 10 is shown to converge, with hardly any advantage to using 20 size bins.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2010

Dose calculations using MARS for Bremsstrahlung beam stops and collimators in APS beamline stations.

The Monte Carlo radiation transport code MARS is used to model the generation of gas bremsstrahlung (GB) radiation from 7-GeV electrons which scatter from residual gas atoms in undulator straight sections within the Advanced Photon Source (APS) storage ring. Additionally, MARS is employed to model the interactions of the GB radiation with components along the x-ray beamlines and then determine the expected radiation dose-rates that result. In this manner, MARS can be used to assess the adequacy of existing shielding or the specifications for new shielding when required. The GB radiation generated in the 'thin-target' of an ID straight section will consist only of photons in a 1/E-distribution up to the full energy of the stored electron beam. Using this analytical model, the predicted GB power for a typical APS 15.38-m insertion device (ID) straight section is 4.59 x 10{sup -7} W/nTorr/mA, assuming a background gas composed of air (Z{sub eff} = 7.31) at room temperature (293K). The total GB power provides a useful benchmark for comparisons between analytical and numerical approaches. We find good agreement between MARS and analytical estimates for total GB power. The extended straight section 'target' creates a radial profile of GB, which is highly peaked centered on the electron beam. The GB distribution reflects the size of the electron beam that creates the radiation. Optimizing the performance of MARS in terms of CPU time per incident trajectory requires the use of a relatively short, high-density gas target (air); in this report, the target density is {rho}L = 2.89 x 10{sup -2} g/cm{sup 2} over a length of 24 cm. MARS results are compared with the contact dose levels reported in TB-20, which used EGS4 for radiation transport simulations. Maximum dose-rates in 1 cc of tissue phantom form the initial basis for comparison. MARS and EGS4 results are approximately the same for maximum 1-cc dose-rates and attenuation in the photon-dominated regions; for thicker targets, however, the dose-rate no longer depends only on photon attenuation, as photoneutrons (PNs) begin to dominate. The GB radiation-induced photoneutron measurements from four different metals (Fe, Cu, W, and Pb) are compared with MARS predictions. The simulated dose-rates for beamline 6-ID are approximately 3-5 times larger than the measured values, whereas those for beamline 11-ID are much closer. Given the uncertainty in local values of pressure and Z, the degree of agreement between MARS and the PN measurements is good. MARS simulations of GB-induced radiation in and around the FOE show the importance of using actual pressure and gas composition (Z{sub eff}) to obtain accurate PN dose. For a beam current of 300 mA, extrapolating pressure data measured in previously published studies predicts an average background gas pressure of 27 nTorr. An average atomic number of Z{sub eff} = 4.0 is obtained from the same studies. In addition, models of copper masks presently in use at the APS are included. Simulations show that inclusion of exit masks make significant differences in both the radiation spatial distribution within the FOE, as well as the peak intensity. Two studies have been conducted with MARS to assess shielding requirements. First, dose levels in contact with the outside wall of the FOE are examined when GB radiation strikes Pb or W beam stops of varying transverse size within the FOE. Four separate phantom regions are utilized to measure the dose, two at beam elevation and two at the horizontal beam position. The first two phantoms are used for scoring FOE dose along the outside and back walls, horizontally; the second two collect dose on the roof and vertically on the back wall. In all cases, the beam stop depth is maintained at 30 cm. Inclusion of front end (FE) exit masks typically cause a 1-2 order-of-magnitude increase in the dose-rates relative to the case with no masks. Masks place secondary bremsstrahlung sources inside the FOE, and therefore they must be shielded appropriately. The MARS model does not fully account for all shielding present in the hutches; localized shielding is employed in individual hutches. Typically, a collimator, placed downstream of the FE exit masks, mitigates the possible increase in dose. Regarding beam stop transverse size, a modest reduction in dose on the back wall is noted as the stop dimension (square cross section) is increased from 12 cm to 24 cm. In the second study, the thickness of Pb required to shield against the GB extremal ray is determined. In this study, we are interested in finding the thickness of material necessary to add at the edge of a stop to adequately block GB radiation; therefore, we look at the case of no masks in order to have a well-defined GB beam edge. Simulations show the separation between the extremal ray and the edge of the shielding should be 2R{sub m}, where R{sub m} is the Moliere radius.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

SineKAN: Kolmogorov-Arnold Networks using sinusoidal activation functions

Recent work has established an alternative to traditional multi-layer perceptron neural networks in the form of Kolmogorov-Arnold Networks (KAN). The general KAN framework uses learnable activation functions on the edges of the computational graph followed by summation on nodes. The learnable edge activation functions in the original implementation are basis spline functions (B-Spline). Here, we present a model in which learnable grids of B-Spline activation functions are replaced by grids of re-weighted sine functions (SineKAN). We evaluate numerical performance of our model on a benchmark vision task. We show that our model can perform better than or comparable to B-Spline KAN models and an alternative KAN implementation based on periodic cosine and sine functions representing a Fourier Series. Further, we show that SineKAN has numerical accuracy that could scale comparably to dense neural networks (DNNs). Compared to the two baseline KAN models, SineKAN achieves a substantial speed increase at all hidden layer sizes, batch sizes, and depths. Current advantage of DNNs due to hardware and software optimizations are discussed along with theoretical scaling. Additionally, properties of SineKAN compared to other KAN implementations and current limitations are also discussed.

Reinhardt, Eric↗
DOE OSTI2022

Hybrid Solid Oxide Fuel Cell/Gas Turbine Model Development for Electric Aviation

A thermodynamic model was developed and validated to analyze a high-performance solid oxide fuel cell and gas turbine (SOFC-GT) hybrid power system for electric aviation. This study used a process simulation software package (ProMax) to study the role of SOFC design and operation on the feasibility and performance of the hybrid system. Standard modules, including compressor, turbine, heat exchanger, reforming reactor, and combustor were used from the ProMax tool suite while a custom module was created to simulate the SOFC stack. The model used an SOFC test data set as an input. Additional SOFC stack performance effects, such as pressure, temperature, and utilization of air and fuel, were added from open source data. System performance predictors were SOFC specific power, fuel-to-electricity conversion efficiency, and hybrid system efficiency. Using these input data and predictors, a static thermodynamic performance model was created that can be modified for different system configurations and operating conditions. Prior to creating the final aircraft performance model, initial demonstration models were developed to validate output results. We used the NASA SOFC model as a benchmark, which was created with their Numerical Propulsion System Simulator (NPSS) software framework. Our output results matched within 1% of both the NASA model and open source SOFC performance data. With confidence gained in the accuracy of this model, a 1-MW SOFC-GT hybrid power system was constructed for an aircraft propulsion concept. Overall hybrid system efficiencies of > 75% FTE were observed during standard 36,000 feet cruise flight conditions.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1992

Analysis of stellar occultation data for planetary atmospheres. I - Model fitting, with application to Pluto

Consideration is given to an analytic model for a stellar-occultation light curve developed for a small, spherically symmetric planetary atmosphere that includes thermal and molecular weight gradients in a region that overlies an extinction layer. The model incorporates two equivalent sets of parameters. One set specifies the occultation light curve in terms of signal levels, times, and time intervals. The other set specifies physical parameters of the planetary atmosphere. Equations are given for the transforming between the sets of parameters, including their errors and correlation coefficients. Detailed numerical calculations are presented for a benchmark case. The results obtained are consistent with the isothermal prediction of the 'methane-thermostat' model of Pluto's atmosphere.

Elliot, J. L.↗