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DOE OSTI2025

Quantifying dispersity in size and shape of nanoparticles from small-angle scattering data using machine learning based CREASE

Here, we use machine learning (ML) enhanced computational reverse engineering analysis of scattering experiments (CREASE) to interpret small-angle X-ray scattering (SAXS) data obtained from a system of nanoparticles without a priori knowledge of their exact shapes (e.g. spheres or ellipsoids), sizes (0.5–50 nm) and distributions. The SAXS measurements yielded three categories of scattering profiles exhibiting 'strong', 'weak' and 'no' features. Diminishing features (e.g. broadening or disappearing peaks) in scattering profiles have always been attributed to the presence of significant dispersity in the system. Such featureless SAXS data are not suitable for traditional analysis using analytical models. If one were to fit a relevant analytical model (e.g. the lmfit analytical model for polydisperse spheres) to these 'weak' and 'no' SAXS profiles from our nanoparticle systems, one would obtain non-unique interpretations of the data. Relying on electron microscopy to identify the distributions of nanoparticle shapes and sizes is also unfeasible, especially in high-throughput synthesis and characterization loops. In such situations, to identify the distributions of particle sizes and shapes that could be present in the sample, one must rely on methods like ML-CREASE to interpret the data quickly and output all relevant interpretations about the structure present in the system. The ML-CREASE optimization loop takes the experimental scattering profile as input and outputs multiple candidate solutions whose computed scattering profiles match the SAXS profile input. The ML-CREASE method outputs distributions of relevant structural features, such as the volume fraction of the nanoparticles in the system and the mean and standard deviation of the particle size and aspect ratio, assuming a type of distribution (e.g. normal, log-normal) for size and aspect ratio. We find that, for the SAXS profiles analyzed here, accounting for the shape dispersity along with size dispersity of the nanoparticles using ML-CREASE improved the match between the computed scattering profiles and input experimental profiles.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

DUNE and MINERvA Flux Studies and a Measurement of the Charged-Current Quasielastic Antineutrino Scattering Cross Section with $<E_{\nu}> \sim 6 $ GeV on a CH Target

One of the biggest open questions in physics is the prevalence of matter over anti-matter in the present universe. One of possible answers lies in the violation of charge and parity symmetry in the lepton sector that would favor matter over anti-matter so that the universe becomes dominated by matter over time. Recent results from neutrino experiments like T2K and NOvA have indicated that there is CP violation in the leptonic sector \citep{Abe:2019vii}. However, the precise measurement of CP violation will require an unprecedented level of accuracy in these oscillation experiments. One of the challenges lies with the systematic uncertainties that come with the measurements, which include uncertainties related to the neutrino flux modeling, interaction modeling and detector related systematic uncertainties.\\ The first part of this thesis will go through the challenges related to flux uncertainties. It will discuss the flux uncertainties related to hadron production in the LBN F beamli ne for the DUNE experiment. Hadron production models used in flux simulations vary widely depending on the simulation and choice of physics models used to simulate the hadron production. This thesis will explain the method of using existing hadron production data to constrain these uncertainties, a method which has been used in MINERvA experiment.\\ The second part of the thesis goes through the effect of possible flux mismodeling and MINERvA's approach to address this effect. In doing so, we discovered that the suspected mismodeling could also result from incorrect estimation of the energy scale of the muons. This project not only demonstrated the challenges of flux modeling but also led to a novel approach of using neutrino energy spectra to understand the correlation between detector and neutrino beamline parameters. \\ A high statistics measurement of the anti-neutrino scattering cross section in the charged current quasielastic (CCQE) channel is the final part of the th esis. Th e 2-body interactions in this channel have the advantage of allowing reconstruction of the interaction kinematics from the outgoing muon trajectory which can be measured very well. Double differential cross sections as a function of muon kinematics, one of the deliverables of this analysis, will help future oscillation experiments understand their data. The cross-section as a function of the four-momentum transferred from the leptonic system to the hadronic system ($Q^{2}_{QE}$) can be used to test models used in simulating antineutrino interactions and the nuclear effects that can modify the predicted cross sections. Nuclear effects arise from the complex nuclear environment and both modify the initial scattering and change the fate of the particles produced from in neutrino-nucleus interactions. Study of nuclear effects will help to understand the structure of the atomic nucleus and its impact on neutrino interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1980

The results from the X ray bremsstrahlung experiment of Project Trigger

Analysis of the bremsstrahlung X-ray data produced the following conclusions. The counting rate observed before the explosion was an expected normal quiet background. An unexpected increase in the counting rate below 20 keV was observed after the explosion, which may have been an effect of the explosion. A significant 0.13-H2 peak in the power spectral density of the X-ray flux was observed, which is interpreted as evidence for a particle-wave-particle interaction involving a bounce resonance stimulated by the explosion. Dispersed continuation of this interaction may have been responsible for delayed long-term precipitation.

Bering, E. A.↗

NASA NTRS1982

Microstructure and particulate properties of the surfaces of Io and Ganymede - Comparison with other solar system bodies

The phase curves of Io and Ganymede between 0 and 40 deg solar phase angle have been compiled from Voyager photopolarimeter and ground-based observations. Modeling the data with the Lumme-Bowell theory made it possible to determine improved estimates of the surface texture and particulate properties. Accurate V-band zero-phase geometric albedos, phase integrals, and Bond albedos are also obtained. The properties of the particles on Io's surface appear to be different from those of other solar system objects whose surfaces are totally controlled by impact cratering processes. Sulfur and SO2 frost, previously identified by spectral analysis, seem to exist in a physical form not commonly found on earth. The agglomeration of volcanic ash into aggregates on Io's surface is postulated.

Pang, K. D.↗

NASA NTRS2000

Gamma Ray Emission from Chaotic Winds of Massive Stars

The purpose of this proposal was to search for gamma-ray emission from the winds of hot, massive stars. According to our theoretical calculations, shocks in the winds of massive stars accelerate particles to high energies. The high-energy particles emit synchrotron radio emission (observed by ground-based radio telescopes) and high-energy gamma-ray emission that we predicted should be detectable by the EGRET instrument on the Compton Gamma Ray Observatory between 100 MeV and a few GeV. We obtained EGRET from phases 1, 2, and 3 of the Cygnus OB2 association, a cluster of massive, young stars, to search for this gamma-ray emission. The data products and analysis show a source consistent with the position of Cyg OB2 with approximately the predicted count rate and spectrum.

White, Richard L.↗

NASA NTRS2010

A Tool for Empirical Forecasting of Major Flares, Coronal Mass Ejections, and Solar Particle Events from a Proxy of Active-Region Free Magnetic Energy

This presentation describes a new forecasting tool developed for and is currently being tested by NASA s Space Radiation Analysis Group (SRAG) at JSC, which is responsible for the monitoring and forecasting of radiation exposure levels of astronauts. The new software tool is designed for the empirical forecasting of M and X-class flares, coronal mass ejections, as well as solar energetic particle events. Its algorithm is based on an empirical relationship between the various types of events rates and a proxy of the active region s free magnetic energy, determined from a data set of approx.40,000 active-region magnetograms from approx.1,300 active regions observed by SOHO/MDI that have known histories of flare, coronal mass ejection, and solar energetic particle event production. The new tool automatically extracts each strong-field magnetic areas from an MDI full-disk magnetogram, identifies each as an NOAA active region, and measures a proxy of the active region s free magnetic energy from the extracted magnetogram. For each active region, the empirical relationship is then used to convert the free magnetic energy proxy into an expected event rate. The expected event rate in turn can be readily converted into the probability that the active region will produce such an event in a given forward time window. Descriptions of the datasets, algorithm, and software in addition to sample applications and a validation test are presented. Further development and transition of the new tool in anticipation of SDO/HMI is briefly discussed.

Barghouty, A. F.↗

NASA NTRS2013

Modeling Analysis for NASA GRC Vacuum Facility 5 Upgrade

A model of the VF5 test facility at NASA Glenn Research Center was developed using the direct simulation Monte Carlo Hypersonic Aerothermodynamics Particle (HAP) code. The model results were compared to several cold flow and thruster hot fire cases. The main uncertainty in the model is the determination of the effective sticking coefficient -- which sets the pumping effectiveness of the cryopanels and oil diffusion pumps including baffle transmission. An effective sticking coefficient of 0.25 was found to provide generally good agreement with the experimental chamber pressure data. The model, which assumes a cold diffuse inflow, also fared satisfactorily in predicting the pressure distribution during thruster operation. The model was used to assess other chamber configurations to improve the local effective pumping speed near the thruster. A new configuration of the existing cryopumps is found to show more than 2x improvement over the current baseline configuration.

cryopumping↗

DOE OSTI2021

Muon-neutrino disappearance with multiple liquid argon time projection chambers in the Fermilab Booster neutrino beam

The Short Baseline Neutrino (SBN) program consists of three liquid argon time projection chamber (LArTPC) experiments: SBND, MicroBooNE and ICARUS, with 110 m, 470 m and 600 m baselines respectively. The detectors are located in the Booster Neutrino Beam (BNB) at Fermilab which has a peak energy around 0.7 GeV and contains predominantly muon neutrinos. The baseline and energy range of the SBN program is conducive to measuring neutrino oscillation parameters under various sterile neutrino hypotheses. Sterile neutrinos have been proposed as a possible solution to the numerous short baseline anomalies. The proposed particles must be sterile in nature such that they do not interact via the weak force, however they may undergo oscillations with the active neutrino flavours. Their existence may consequently be confirmed through measurements of the appearance and disappearance of the active flavours. The analyses presented in this thesis aimed to calculate and understand the sensitivity of the SBN program to measuring the ?µ disappearance parameters under the (3+1) sterile neutrino oscillation hypothesis. The sensitivity of SBN to measuring the ?µ disappearance sterile oscillation parameters, sin2 2?µµ, ?m2 41, was calculated through semi-exclusive joint fits of the ?µ CC 0p and ?µ CC Other reconstructed neutrino energy spectra. The first iteration used truth-level Monte Carlo (MC) events, and determined that the 5s SBN sensitivity is comparable to the 90% MINOS/MINOS+ confidence level and supersedes the 90% MiniBooNE confidence level across entire phase space. Semi-exclusive joint fits of the aforementioned sample spectra were performed between the MC and multiple mock data sets in SBND. This analysis assessed the accuracy with which the near detector can disentangle systematic from physics effects in the oscillation analysis. The result was a 5.49% discrepancy between the ICARUS Monte Carlo and mock data event rates, when the systematic constraints from the near detector fit were extrapolated to the far detector. The second iteration of the SBN sensitivity analysis involved the application of an event selection procedure developed in SBND, following the full reconstruction chain. ?µ CC 0p events were selected from sample of neutrinos with 84.5% efficiency and 84.3% purity. The sterile neutrino sensitivity was determined once more at the near detector with these samples, and was shown to be consistent with the truth-level studies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Wavelet flow for extragalactic foreground simulations

Extragalactic foregrounds in cosmic microwave background (CMB) observations are both a source of cosmological and astrophysical information and a nuisance to the CMB. Effective field-level modeling that captures their non-Gaussian statistical distributions is increasingly important for optimal information extraction, particularly given the low-noise observations from current and upcoming experiments. Here, we explore the use of Wavelet Flow (WF) models to tackle the novel task of modeling the field-level probability distributions of multi-component CMB secondaries and foregrounds. Specifically, we jointly train correlated CMB lensing convergence (κ) and cosmic infrared background (CIB) maps with a WF model and obtain a network that statistically recovers the input to high accuracy — the trained network generates samples of κ and CIB fields whose average power spectra are within a few percent of the inputs across all scales, and whose Minkowski functionals are similarly accurate compared to the inputs. Leveraging the multiscale architecture of these models, we fine-tune both the model parameters and the priors at each scale independently, optimizing performance across different resolutions. These results demonstrate that WF models can accurately simulate correlated components of CMB secondaries, supporting improved analysis of cosmological data. Our code and trained models can be found on this GitHub repo.

cosmological simulations↗

DOE OSTI2020

The MicroBooNE Single-Photon Low-Energy Excess Search

MicroBooNE is a short baseline neutrino experiment at Fermilab designed to address the low energy excess observed by the MiniBooNE experiment. This note describes and presents preliminary results for the MicroBooNE analysis developed to address this excess as a single photon plus one or zero protons in the final state. The analysis assumes neutrino neutral current Δ resonance production followed by Δ radiative decay on argon (NC Δ → $N_γ$) as the “signal model”; event reconstruction and selection have been developed and optimized in order to maximize efficiency and reduce cosmogenic and other beam-related backgrounds to the NC Δ → $N_γ$ signal. We present the analysis methodology and validation checks performed on limited-statistics open data sets, corresponding to 5×10 19 protons on target (POT), following a blind analysis, as well as the projected sensitivities for testing the Standard Model (SM) predicted rate for the NC Δ → $N_γ$ process and for testing the interpretation of the previously observed MiniBooNE low energy excess as NC Δ → $N_γ$ events, using the full anticipated MicroBooNE data set of 12.25×10 20 POT.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Laser calibration system at ProtoDUNE-HD

The Deep Underground Neutrino Experiment (DUNE) is a full experiment consisting of multiple detectors separated by a near and far site. DUNE will study long-baseline neutrino oscillations, which will provide insight into CP-violation, neutrino mass ordering, and the matter/antimatter asymmetry. Additionally, DUNE will search for nucleon decay and observe neutrinos from supernovae. DUNE relies on liquid argon time projection chambers (LAr TPCs), an excellent technology for tracking particles and reconstructing their interactions with high precision. To achieve its goals, DUNE is supported by the ProtoDUNE experiments at CERN, which serve as large-scale prototypes to validate detector technologies and calibration systems. The precise calibration of the electric field within the detector is vital for accurate 3D reconstruction of particle tracks, particularly in maintaining the consistency of charge measurements along the drift path. This work presents the development and implementation of a laser calibration system designed for ProtoDUNE-II. This poster involved the physical installation and commissioning of the laser system. The commissioning process included extensive testing to ensure alignment and operational efficiency, such as rotating the laser to observe behavior of tracks. The groundwork established during these steps is crucial for future data analysis, aiming to measure the electron lifetime (in the active volume) and map the electric field inside the detector with high precision.

Campanelli, Wallison [LIP]↗

NASA NTRS1983

EXOS-B/Siple station VLF wave-particle interaction experiments. II - Transmitter signals and associated emissions

New observations in the magnetosphere of coherent VLF waves from the Siple Station, Antarctica, transmitter and associated VLF emissions triggered by the transmitter signals are reported. The data analyzed were acquired on the EXOS-B high-altitude satellite during the period July 15-September 7, 1979, during joint VLF wave-injection experiments involving scientists from Kyoto, Tokyo, and Stanford universities. The experiments were carried out to gain a deeper understanding of the interactions between coherent VLF waves and energetic particles in the magnetosphere, in particular, the whistler-mode instability through which both natural and stimulated VLF emissions are produced. Analysis of the emission-triggering events provides strong evidence that the triggering took place inside whistler-mode ducts and that the emissions reached the satellite only after being scattered at one end of the ducts by ionospheric irregularities. It is concluded that in the noon sector of the magnetosphere, the amplitude of nonducted signals from the Siple transmitter is generally less than the threshold level necessary for triggering in the nonducted mode.

Bell, T. F.↗

NASA NTRS1985

Elemental abundances of cosmic rays with Z33 as measured on HEAO-3

The Heavy Nuclei Experiment on HEAO-3 uses a combination of ion chambers and a Cerenkov counter. During analysis, each particle is assigned two parameters Z sub c and Z sub l proportion signal is double valued, a unique assignment of particle charge, Z, is not possible in general. Previous work was limited to particles of either high rigidity or low energy, for which a unique charge assignment was possible, although those subsets contain less than 50% of the total number of particles observed. The use of the maximum likelihood technique to determine abundances for the complete data set from approximately 1.5 to approximately 80 GeV/amu is studied.

Newport, B. J.↗

NASA NTRS1988

Computation of two-phase shear-layer flow using an Eulerian-Lagrangian analysis

A combined Eulerian-Lagrangian analysis which combines a linearized block implicit Navier-Stokes analysis for the continuous phase with a Lagrangian analysis for the discrete phase has been utilized to simulate a two-phase shear-layer flow in a two-dimensional channel flow configuration. The motion of the particles is tracked in computational coordinate space, resulting in improved computational efficiency, and interphase coupling terms for the Eulerian analysis are computed from the instantaneous distribution of the particles rather than the trajectory information. The use of the implicit Navier-Stokes analysis for the continuous phase has made it possible to efficiently use a highly stretched mesh. A low Reynolds number form of the k-epsilon turbulence model was used with near-wall resolution, thus eliminating the need to use the 'wall-function' approach. The streamwise velocity profiles for the continuous and the discrete phases have been compared with experimental data for two test cases.

Sabnis, Jayant S.↗

NASA NTRS1996

Interplanetary and Interstellar Dust Particles: Reentry Heating and Capture in Aerogel

Studies of interplanetary and interstellar dust can provide significant information on the evolution of the solar system or stars, respectively. However, for reliable analysis it is crucial to know how the particles have been modified during reentry (in the case of interplanetary dust particles, or [DP's) and impact into the capture medium. In the case of stratospheric capture, particles will be heated by atmospheric drag. Subsequent capture of the particles will result in heating, ablation, accretion of the capture medium and possible fragmentation. Modeling of these processes is a useful way of assessing their effects on the interpretation of the compositional data for these particles. Previous work on reentry heating has shown that heat diffusion alone cannot adequately account for temperature gradients observed in IDP's. In fact, for any reasonable thermal parameters, calculations show the particles to be nearly isothermal. Here we extend those studies to include phase transitions. These preliminary results are promising and show a significant temperature gradient for a 100 micron (diameter) particle. The actual capture of the particles in silica aerogel is being modeled using a comprehensive shock hydrodynamic code (called CTH). Various options of this code were investigated to attempt to make the most appropriate choice of methods of impact, equations of state, and processes of energy transfer from capture material to particle. The initial calculations with the code used only 'reasonable' estimates for the physical parameters of silica aerogel. Through the literature searches and personal contacts with the knowledgeable scientists, the best possible mechanical and thermal data have been made available for these computations.

Szydlik, Paul P.↗

NASA NTRS2005

Aeolian Processes at the Mars Exploration Rover Opportunity Landing Site

The traverse of the Mars Exploration Rover Opportunity across its Meridiani Planum landing site has shown that wind has affected regolith by creating drifts, dunes, and ubiquitous ripples, by sorting grains during aeolian transport, by forming bright wind streaks downwind from craters seen from orbit, and by eroding rock with abrading, wind-blown material. Pre-landing orbiter observations showed bright and dark streaks tapering away from craters on the Meridiani plains. Further analysis of orbiter images shows that major dust storms can cause bright streak orientations in the area to alternate between NW and SE, implying bright wind streak materials encountered by Opportunity are transient, potentially mobilized deposits. Opportunity performed the first in situ investigation of a martian wind streak, focusing on a bright patch of material just outside the rim of Eagle crater. Data from Pancam, the Miniature Thermal Emission Spectrometer (Mini-TES), the Alpha-Particle X-Ray Spectrometer (APXS), and the Mossbauer spectrometer either are consistent with or permit an air fall dust interpretation. We conclude that air fall dust, deposited in the partial wind shadow of Eagle crater, is responsible for the bright streak seen from orbit, consistent with models involving patchy, discontinuous deposits of air fall dust distributed behind obstacles during periods of atmospheric thermal stability during major dust storms.

Sullivan, R.↗

NASA NTRS2006

Two Years of Chemical Sampling on Meridiani Planum by the Alpha Particle X-Ray Spectrometer Onboard the Mars Exploration Rover Opportunity

For over two terrestrial years, the Mars Exploration Rover Opportunity has been exploring the martian surface at Meridiani Planum using the Athena instrument payload [1], including the Alpha Particle X-Ray Spectrometer (APXS). The APXS has a small sensor head that is mounted on the robotic arm of the rover. The chemistry, mineralogy and morphology of selected samples were investigated by the APXS along with the Moessbauer Spectrometer (MB) and the Microscopic Imager (MI). The Rock Abrasion Tool (RAT) provided the possibility to dust and/or abrade rock surfaces down to several millimeters to expose fresh material for analysis. We report here on APXS data gathered along the nearly 6-kilometers long traverse in craters and plains of Meridiani.

Bruckner, J.↗

DOE OSTI2022

Importance of 3-D S{sub N} depletion in non-proliferation using BSOLVE

We present a single Pressurized Water Reactor (PWR) 3-D fuel rod design for depletion analysis using BSOLVE, our newly developed Runge-Kutta-Fehlberg based depletion code. BSOLVE is coupled with the deterministic 3-D S{sub N} particle transport code, PENTRAN, applied here with a 4-neutron energy group comparison to Continuous Energy (C/E) SERPENT2 Monte Carlo results. Differences are expected, as PENTRAN+BSOLVE retains full (multi-group) energy information for reactions, nuclide specific fission contributions, and energy dependent fission yields, using the latest available ENDF-BVIII data, important to retain accurate burned fuel inventories; SERPENT2 collapses burnup reactions to a single energy value. For depletion times up to ∼ 700 days and typical PWR power densities, relative differences between multigroup 3-D S{sub N} with full energy data and Monte Carlo one group burnup for trans-uranium nuclide concentrations and fission products are up to ∼20%. System eigenvalues are consistent, but with differences early and late in the cycle attributed to multigroup vs. C/E Monte Carlo cross sections. This work highlights the importance of low variance transport driven burnup for non-proliferation concerns, since plutonium quality varies significantly along axial lengths, and is more challenging to converge using Monte Carlo; details of depletion steps with spatial/zone dependent plutonium quality are provided. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

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