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DOE OSTI2020

NRC Multiphysics Analysis Capability Deployment FY2020 - Part 4

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Sup- port for Advanced Non-Light Water Reactors.” The tasks completed for this report are: • Task 3a: This task demonstrates the effectiveness of Griffin’s methods for interpolating cross sections and SPH correction factors as a function of control drum rotation. The Monte Carlo code Serpent is used to generate reference results. The accuracy of Griffin-calculated eigenvalues and reaction rates are studied as a function of control drum rotation for cross section and SPH factor libraries of varying fidelity. Higher-fidelity libraries require less interpolation and are therefore inherently more accurate; however, they require more computational resources to create. Overall, Griffin is able to accurately model eigenvalue and reaction rates over the full range of drum rotation using a library generated from three to five discrete drum rotations for a particular microreactor design. • Task 3c: This preliminary task successfully demonstrates the performance of a coupled neutron-photon transport calculation with Griffin using the spherical harmonics approximation. The Griffin solutions are compared to reference solutions from the continuous energy Monte Carlo codes MCNP and Serpent. Furthermore, this work also demonstrates how to prepare the neutron and photon libraries using NJOY, MCNP, and Serpent with the latest ENDF/B-VIII data for 235 U and graphite. The Griffin total energy deposition in the active core region is calculated within 0.3% of the reference, but it degrades in the reflector regions with a maximum difference of -1.5%. Overall, the results look promising and future analysis should use an improved data stream and focus on determining the potential cancellation of error within each energy group.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Muon-Neutrino Charged-Current Cross Sections from MicroBooNE: First Simultaneous Measurements of Final States with and without Protons for Muon-Neutrino Scattering on Argon

A detailed understanding of muon neutrino charged-current interactions on argon is crucial to the study of neutrino oscillations in current and future experiments using liquid argon time projection chambers. To help fill this need, MicroBooNE has produced a comprehensive set of cross section measurements which simultaneously probe the leptonic and hadronic systems by dividing the inclusive channel into final states with and without protons. Data-driven model validation utilizing the conditional constraint formalism is employed to detect mismodeling that may bias the nominal flux averaged cross section results, which are extracted with the Wiener-SVD unfolding method. The results are compared to widely used event generator predictions revealing significant mismodeling of final states without protons, possibly due to insufficient treatment of final state interactions. These are first differential muon neutrino-argon cross section measurements made simultaneously for final states with and without protons and provide novel information that will help stimulate the improvement of event generator modeling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Dielectron production in proton-proton and proton-lead collisions at $\sqrt{s_{NN}}$=5.02TeV

The first measurements of dielectron production at midrapidity (|η e | < 0.8) in proton–proton and proton–lead collisions at $\sqrt{s_{NN}}$ = 5.02 TeV at the LHC are presented. The dielectron cross section is measured with the ALICE detector as a function of the invariant mass m ee and the pair transverse momentum p T,ee in the ranges mee < 3.5 GeV/c 2 and p T,ee < 8 GeV/c, in both collision systems. In proton–proton collisions, the charm and beauty cross sections are determined at midrapidity from a fit to the data with two different event generators. This complements the existing dielectron measurements performed at $\sqrt{s}$ = 7 and 13 TeV. The slope of the $\sqrt{s}$ dependence of the three measurements is described by FONLL calculations. The dielectron cross section measured in proton–lead collisions is in agreement, within the current precision, with the expected dielectron production without any nuclear matter effects for e + e - pairs from open heavy-flavor hadron decays. For the first time at LHC energies, the dielectron production in proton–lead and proton–proton collisions are directly compared at the same $\sqrt{s_{NN}}$ via the dielectron nuclear modification factor R pPb . The measurements are compared to model calculations including cold nuclear matter effects, or additional sources of dielectrons from thermal radiation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1972

A portable self-contained gas chromatograph.

The design and fabrication of a completely portable, self-contained gas chromatograph is described. This instrument utilizes a closed-loop hydrogen carrier gas flow as maintained by a hydrogen generator-separator. It employs an auxiliary hydrogen generator to keep a positive flow of hydrogen through the detector. The detector is an ionization cross section detector. The only maintenance required is the addition of water (5-15 cc/day) to the auxiliary hydrogen generator. Lower limit of detection for the present system is of the order of 1-10 ppm ethane.

Stevens, M. R.↗

DOE OSTI2026

RU Net for Automatic Characterization of TRISO Fuel Cross Sections

TRistructural ISOtropic (TRISO) particle fuel is a type of nuclear fuel known for its high-temperature and high-burnup performance. Each sub-millimeter diameter TRISO particle consists of uranium-oxycarbide (UCO) or UO2 fuel kernel, coated with buffer, inner pyrolytic carbon (IPyC), silicon carbide (SiC), and outer pyrolytic carbon (OPyC) layers. The SiC layer acts as the main containment barrier for the TRISO particle to retain the fission products, while the IPyC and OPyC layers provide additional barriers to the release of fission products, especially fission gases. During irradiation, phenomena like kernel swelling, buffer densification, and IPyC fracture may impact fuel performance. Post-irradiation microscopy on entire compact cross sections or samples of individual particles deconsolidated from compacts is often used to identify these irradiation-induced changes in morphology. However, each fuel compact generally contains thousands of TRISO particles. To get statistical information on these phenomena, it is cumbersome work if done manually. For example, to get information about swelling/densification behaviors of different layers or kernels after irradiation, researchers previously manually measured the perimeter of each TRISO layer in hundreds of particles after four rounds of iterative grinding and polishing encompassing more than 2000 cross-section images for a total of four fuel compacts. To attempt to reduce the subjectivity inherent in that process and accelerate data analysis, we conducted a study on the automatic TRISO layer segmentation on cross-sectional microscopic images using Convolutional Neural Networks (CNNs). CNNs are a class of machine learning algorithms specifically designed for processing structured grid data that have gained popularity in recent years due to their remarkable performance in various computer vision tasks, including image classification, object detection, and image segmentation. In this research, we have generated the large irradiated TRISO layer dataset with more than 2000 cross-section TRISO microscopic images and the corresponding annotated images. Based on these annotated images, we have employed different CNNs for automatic segmentation of different TRISO layers. These include RU-Net (developed in this study), as well as three existing architectures: U-Net, Residual Network (ResNet), and Attention U-Net. The preliminary results show that the model based on RU-Net has the best performance in terms of intersection-over-union (IoU). Through the aid of these CNN models, we can expedite the analysis of TRISO particle cross-sections, significantly reducing the manual labor involved and improving the objectivity of the segmentation results.

Convolutional Neural Networks↗

NASA NTRS2014

Size and Shape of the Distant Magnetotail

We employ a global magnetohydrodynamic model to study the effects of the interplanetary magnetic field (IMF) strength and direction upon the cross-section of the magnetotail at lunar distances. The anisotropic pressure of draped magnetosheath magnetic field lines and the inclusion of a reconnection-generated standing slow mode wave fan bounded by a rotational discontinuity within the definition of the magnetotail result in cross-sections elongated in the direction parallel to the component of the IMF in the plane perpendicular to the Sun-Earth line. Tilted cross-tail plasma sheets separate the northern and southern lobes within these cross-sections. Greater fast mode speeds perpendicular than parallel to the draped magnetos heath magnetic field lines result in greater distances to the bow shock in the direction perpendicular than parallel to the component of the IMF in the plane transverse to the Sun-Earth line. The magnetotail cross-section responds rapidly to reconnected magnetic field lines requires no more than the magnetosheath convection time to appear at any distance downstream, and further adjustments of the cross-section in response to the anisotropic pressures of the draped magnetic field lines require no more than 10-20 minutes. Consequently for typical ecliptic IMF orientations and strengths, the magnetotail cross-section is oblate while the bow shock is prolate.

lunar↗

NASA NTRS1983

Heat generation in aircraft tires

A method was developed for calculating the internal temperature distribution in an aircraft tire while free rolling under load. The method uses an approximate stress analysis of each point in the tire as it rolls through the contact patch, and from this stress change the mechanical work done on each volume element may be obtained and converted into a heat release rate through a knowledge of material characteristics. The tire cross-section is then considered as a body with internal heat generation, and the diffusion equation is solved numerically with appropriate boundary conditions of the wheel and runway surface. Comparison with data obtained with buried thermocouples in tires shows good agreement.

Clark, S. K.↗

NASA NTRS1985

Heat generation in aircraft tires

Clark, S. K.↗

NASA NTRS1982

Heat generation in aircraft tires under free rolling conditions

Clark, S. K.↗

DOE OSTI2025

Measurements of differential charged-current cross sections on argon for electron neutrinos with final-state protons in MicroBooNE

This work presents single-differential electron-neutrino charged-current cross sections on argon measured using the MicroBooNE detector at the Fermi National Accelerator Laboratory. The analysis uses data recorded when the Neutrinos at the Main Injector beam was operating in both neutrino and antineutrino modes, with exposures of $2 \times 10^{20}$ and $5 \times 10^{20}$ protons on target, respectively. A selection algorithm targeting electron-neutrino charged-current interactions with at least one proton, one electron, and no pions in the final topology is used to measure differential cross sections as a function of outgoing electron energy, total visible energy, and opening angle between the electron and the most energetic proton. The interaction rate as a function of proton multiplicity is also reported. The total cross section is measured as [4.1 $\pm$ 0.4 (stat.) $\pm$ 1.2 (syst.)]$ $$\times 10^{-39} \mathrm{cm}^{2}/ \mathrm{nucleon}$. The unfolded cross-section measurements are compared to predictions from neutrino event generators commonly employed in the field. Good agreement is seen across all variables within uncertainties.

Abratenko, P. [Tufts U. (main)]↗

NASA NTRS2001

Initial Circulation and Peak Vorticity Behavior of Vortices Shed from Airfoil Vortex Generators

An extensive parametric study of vortices shed from airfoil vortex generators has been conducted to determine the dependence of initial vortex circulation and peak vorticity on elements of the airfoil geometry and impinging flow conditions. These elements include the airfoil angle of attack, chord length, span, aspect ratio, local boundary layer thickness, and free stream Mach number. In addition, the influence of airfoil-to-airfoil spacing on the circulation and peak vorticity has been examined for pairs of co-rotating and counter-rotating vortices. The vortex generators were symmetric airfoils having a NACA-0012 cross-sectional profile. These airfoils were mounted either in isolation, or in pairs, on the surface of a straight pipe. The turbulent boundary layer thickness to pipe radius ratio was about 17 percent. The circulation and peak vorticity data were derived from cross-plane velocity measurements acquired with a seven-hole probe at one chord-length downstream of the airfoil trailing edge location. The circulation is observed to be proportional to the free-stream Mach number, the angle-of-attack, and the span-to-boundary layer thickness ratio. With these parameters held constant, the circulation is observed to fall off in monotonic fashion with increasing airfoil aspect ratio. The peak vorticity is also observed to be proportional to the free-stream Mach number, the airfoil angle-of-attack, and the span-to-boundary layer thickness ratio. Unlike circulation, however, the peak vorticity is observed to increase with increasing aspect ratio, reaching a peak value at an aspect ratio of about 2.0 before falling off again at higher values of aspect ratio. Co-rotating vortices shed from closely spaced pairs of airfoils have values of circulation and peak vorticity under those values found for vortices shed from isolated airfoils of the same geometry. Conversely, counter-rotating vortices show enhanced values of circulation and peak vorticity when compared to values obtained in isolation. The circulation may be accurately modeled with an expression based on Prandtl's relationship between finite airfoil circulation and airfoil geometry. A correlation for the peak vorticity has been derived from a conservation relationship equating the moment at the airfoil tip to the rate of angular momentum production of the shed vortex, modeled as a Lamb (ideal viscous) vortex. This technique provides excellent qualitative agreement to the observed behavior of peak vorticity for low aspect ratio airfoils typically used as vortex generators.

Wendt, Bruce J.↗

DOE OSTI2021

Exploring the impacts of conformer selection methods on ion mobility collision cross section predictions

The prediction of structure dependent molecular properties, such as collision cross sections as measured using ion mobility spectrometry, are crucially dependent on the selection of the correct population of molecular conformers. Here, we report an in-depth evaluation of multiple conformation selection techniques, including simple averaging, Boltzmann weighting, lowest energy selection, low energy threshold reductions, and similarity reduction. Generating 50,000 conformers each for 18 molecules, we used the In Silico Chemical Library Engine (ISiCLE) to calculate the collision cross sections for the entire dataset. First, we employed Monte Carlo simulations to understand the variability between conformer structures as generated using simulated annealing. Then we employed Monte Carlo simulations to the aforementioned conformer selection techniques applied on the simulated molecular property—the ion mobility collision cross section. Based on our analyses, we found Boltzmann weighting to be a good tradeoff between precision and theoretical accuracy. Combining multiple techniques revealed that energy thresholds and root-mean-squared deviation-based similarity reductions can save considerable computational expense while maintaining property prediction accuracy. Molecular dynamic conformer generation tools like AMBER can continue to generate new lowest energy conformers even after tens of thousands of generations, decreasing precision between runs. This reduced precision can be ameliorated and theoretical accuracy increased by running density functional theory geometry optimization on carefully selected conformers.

Nielson, Felicity F.↗

NASA NTRSDate not supplied

Streamline‐Traced, External‐Compression Supersonic Inlets for Mach 2

A computational study was performed to explore the aerodynamic design and performance of streamline-traced, external‐compression (STEX) inlets for Mach 2.0. The performance metrics included inlet flow rates, total pressure recovery, and total pressure distortion. The study explored the use of round and flattened capture cross‐sections and a bleed slot. The design of the inlet and generation of the inlet geometry was performed using the Supersonic Inlet Design and Analysis (SUPIN) Tool. Computational grids were generated, and methods of computational fluid dynamics (CFD) were applied to solve the three dimensional, turbulent flow through the inlets using the Wind‐US CFD flow solver. It was found that the use of a bleed slot with about 5% bleed resulted in an inlet total pressure recovery of 95% at Mach 2 with acceptable radial and circumferential total pressure distortion. It was also found that there was only a slight decrease in performance between a round and flattened capture cross‐section. This suggests that the use of streamline tracing offers flexibility in shaping the inlet capture cross‐section for a more favorable integration with an aircraft wing or fuselage. This flexibility and the good performance of the inlet provides a novel inlet design for future commercial supersonic aircraft.

Computational Fluid Dynamics↗

NASA NTRSDate not supplied

Streamline-Traced, External-Compression Supersonic Inlets for Mach 2

A computational study was performed to explore the aerodynamic design and performance of streamline-traced, external-compression (STEX) inlets for Mach 2.0. The performance metrics included inlet flow rates, total pressure recovery, and total pressure distortion. The study explored the use of round and flattened capture cross-sections and a bleed slot. The design of the inlet and generation of the inlet geometry was performed using the Supersonic Inlet Design and Analysis(SUPIN) Tool. Computational grids were generated, and methods of computational fluid dynamics (CFD) were applied to solve the three-dimensional, turbulent flow through the inlets using the Wind-US CFD flow solver. It was found that the use of a bleed slot with about 5% bleed resulted in an inlet total pressure recovery of 95% at Mach 2 with acceptable radial and circumferential total pressure distortion. It was also found that there was only a slight decrease in performance between a round and flattened capture cross-section. This suggests that the use of streamline tracing offers flexibility in shaping the inlet capture cross-section for a more favorable integration with an aircraft wing or fuselage. This flexibility and the good performance of the inlet provides a novel inlet design for future commercial supersonic aircraft.

Computational Fluid Dynamics↗

DOE OSTI2023

Shedding light on the 239Pu fission source term with new high-precision experiments and advanced fission modeling

In the last decade, there has been a renaissance of fission research resulting in new high-precision experiments and advanced fission modeling. For instance, the Chi-Nu and CEA teams supplied, for the first time, the 239 Pu prompt fission neutron spectrum (PFNS) for broad ranges of incident and outgoing neutron energies. The CEA team also measured 239 Pu average prompt neutron multiplicities, ν ̄ p , with lower statistical uncertainties and a technique significantly different than the one used in the past. The NIFFTE collaboration provided 239 Pu( n ,f)/ 235 U( n ,f) cross section shape ratios with uncertainties below 1% utilizing a novel detector type. Advanced fission event generators were developed, among them CGMF, FIFRELIN, FREYA, and GEF, which calculate post-scission fission observables in a correlated manner. These new experimental data and more consistent fission models change the evaluated PFNS, ν ̄ p , and ( n ,f) cross sections, some only modestly, compared to ENDF/B-VIII.0. In turn, the individual new nuclear data distinctly change simulated effective neutron multiplication factors of fast critical assemblies, but their combined impact is small, while affecting the prediction of LLNL pulsed sphere neutron leakage spectra and reaction rates only within experimental uncertainties. Also, the parameters obtained from fitting to ν ̄ p reproduce various post-scission fission observables within the uncertainties of experimental data. This indicates that new differential experiments and consistent fission modeling reduce compensating errors present in ENDF/B-VIII.0.

fission cross section↗

DOE OSTI2022

$\mathrm{D}$ark$\mathrm{F}$lux: A new tool to analyze indirect-detection spectra of next-generation dark matter models

Here we present DarkFlux, a software tool designed to analyze indirect-detection signatures for next-generation models of dark matter (DM) with multiple annihilation channels. Version 1.0 of this tool accepts user-generated models with 2→2 tree-level dark matter annihilation to pairs of Standard Model (SM) particles and analyzes DM annihilation to γ rays. The tool consists of three modules, which can be run in a loop in order to scan over DM mass if desired: The annihilation fraction module calls an internal installation of MadDM, a dark matter phenomenology plugin for the Monte Carlo event generator MadGraph5 _ aMC@NLO, to compute the thermally averaged cross section $\langle σv\rangle_i$ for each annihilation channel $χχ$ ($\bar{χ}$,$χ^†$)→ i $\∈{SM, SM}. . The module then computes the fractional annihilation rate (annihilation fraction) into each channel. The flux module combines the flux spectrum from each annihilation channel, weighted by the appropriate annihilation fractions, to compute the total flux at Earth due to DM annihilation. In DarkFlux v1.0, this module specifically computes the γ-ray flux for each channel using the publicly available PPPC4DMID tables. The analysis module compares the total flux to observational data and computes the upper limit at 95% confidence level (CL) on the total thermally averaged DM annihilation cross section. In DarkFlux v1.0, this module compares the total γ-ray flux to a joint-likelihood analysis of fifteen dwarf spheroidal galaxies (dSphs) analyzed by the Fermi-LAT collaboration. DarkFlux v1.0 automatically provides data tables and can plot the output of these three modules. In this manual, we briefly motivate this indirect-detection computer tool and review the essential DM physics. We then describe the several modules of DarkFlux in greater detail. Finally, we show how to install and run DarkFlux and provide two worked examples demonstrating its capabilities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Probing nuclear effects with neutrino-induced charged-current neutral pion production

We study neutrino-induced charged-current (CC) $\pi^0$ production on carbon nuclei using events with fully imaged final-state proton-$\pi^0$ systems. Novel use of final-state correlations based on transverse kinematic imbalance enable the first measurements of the struck nucleon's Fermi motion, of the intranuclear momentum transfer (IMT) dynamics, and of the final-state hadronic momentum configuration in neutrino pion production. Event distributions are presented for i) the momenta of neutrino-struck neutrons below the Fermi surface, ii) the direction of missing transverse momentum characterizing the strength of IMT, and iii) proton-pion momentum imbalance with respect to the lepton scattering plane. The observed Fermi motion and IMT strength are compared to the previous MINERvA measurement of neutrino CC quasielastic-like production. The measured shapes and absolute rates of these distributions, as well as the cross-section asymmetries show tensions with predictions from current neutrino generator models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Revisiting spontaneous Raman scattering for direct oxygen atom quantification

In this paper, the counterintuitive and largely unknown Raman activity of oxygen atoms is evaluated for its capacity to determine absolute densities in gases with significant O-density. The study involves C O 2 microwave plasma to generate a self-calibrating mixture and establish accurate cross sections for the 3 P 2 ↔ 3 P 1 and 3 P 2 ↔ 3 P 0 transitions. The approach requires conservation of stoichiometry, confirmed within experimental uncertainty by a 1D fluid model. The measurements yield σ J = 2 → 1 = 5.27 ± s y s : 0.53 r a n d : 0.17 × 10 - 31 c m 2 / s r and σ J = 2 → 0 = 2.11 ± s y s : 0.21 r a n d : 0.06 × 10 - 31 c m 2 / s r , and the detection limit is estimated to be 1 × 10 15 c m - 3 for systems without other scattering species.

74 ATOMIC AND MOLECULAR PHYSICS↗