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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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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reconstruction of effective potential from statistical analysis of dynamic trajectories

The broad incorporation of microscopic methods is yielding a wealth of information on the atomic and mesoscale dynamics of individual atoms, molecules, and particles on surfaces and in open volumes. Analysis of such data necessitates statistical frameworks to convert observed dynamic behaviors to effective properties of materials. Here, we develop a method for the stochastic reconstruction of effective local potentials solely from observed structural data collected from molecular dynamics simulations (i.e., data analogous to those obtained via atomically resolved microscopies). Using the silicon vacancy defect in graphene as a model, we apply the statistical framework presented herein to reconstruct the free energy landscape from the calculated atomic displacements. Evidence of consistency between the reconstructed local potential and the trajectory data from which it was produced is presented, along with a quantitative assessment of the uncertainty in the inferred parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

A case study on parallel HDF5 dataset concatenation for high energy physics data analysis

In High Energy Physics (HEP), experimentalists generate large volumes of data that, when analyzed, helps us better understand the fundamental particles and their interactions. This data is often captured in many files of small size, creating a data management challenge for scientists. In order to better facilitate data management, transfer, and analysis on large scale platforms, it is advantageous to aggregate data further into a smaller number of larger files. However, this translation process can consume significant time and resources, and if performed incorrectly the resulting aggregated files can be inefficient for highly parallel access during analysis on large scale platforms. In this paper, we present our case study on parallel I/O strategies and HDF5 features for reducing data aggregation time, making effective use of compression, and ensuring efficient access to the resulting data during analysis at scale. We focus on NOvA detector data in this case study, a large-scale HEP experiment generating many terabytes of data. Here, the lessons learned from our case study inform the handling of similar datasets, thus expanding community knowledge related to this common data management task.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Observation of Enhanced Long-Range Elliptic Anisotropies Inside High-Multiplicity Jets in p p Collisions at s = 13 TeV

A search for collective effects inside jets produced in proton-proton collisions is performed via correlation measurements of charged particles using the CMS detector at the CERN LHC. The analysis uses data collected at a center-of-mass energy of s = 13 TeV , corresponding to an integrated luminosity of 138 fb − 1 . Jets are reconstructed with the anti- k T algorithm with a distance parameter of 0.8 and are required to have transverse momentum greater than 550 GeV and pseudorapidity | η jet | < 1.6 . Two-particle correlations among the charged particles within the jets are studied as functions of the particles’ azimuthal angle and pseudorapidity separations ( Δ ϕ * and Δ η * ) in a jet coordinate basis, where particles’ η * , ϕ * are defined relative to the direction of the jet. The correlation functions are studied in classes of in-jet charged-particle multiplicity up to N ch j ≈ 100 . Fourier harmonics are extracted from long-range azimuthal correlation functions to characterize azimuthal anisotropy for | Δ η * | > 2 . For low- N ch j jets, the long-range elliptic anisotropic harmonic, v 2 * , is observed to decrease with N ch j . This trend is well described by Monte Carlo event generators. However, a rising trend for v 2 * emerges at N ch j ≳ 80 , hinting at a possible onset of collective behavior, which is not reproduced by the models tested. This observation yields new insights into the dynamics of jet evolution in the vacuum. © 2024 CERN, for the CMS Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Multimodal X-ray nano-spectromicroscopy analysis of chemically heterogeneous systems

Abstract Understanding the nanoscale chemical speciation of heterogeneous systems in their native environment is critical for several disciplines such as life and environmental sciences, biogeochemistry, and materials science. Synchrotron-based X-ray spectromicroscopy tools are widely used to understand the chemistry and morphology of complex material systems owing to their high penetration depth and sensitivity. The multidimensional (4D+) structure of spectromicroscopy data poses visualization and data-reduction challenges. This paper reports the strategies for the visualization and analysis of spectromicroscopy data. We created a new graphical user interface and data analysis platform named XMIDAS (X-ray multimodal image data analysis software) to visualize spectromicroscopy data from both image and spectrum representations. The interactive data analysis toolkit combined conventional analysis methods with well-established machine learning classification algorithms (e.g. nonnegative matrix factorization) for data reduction. The data visualization and analysis methodologies were then defined and optimized using a model particle aggregate with known chemical composition. Nanoprobe-based X-ray fluorescence (nano-XRF) and X-ray absorption near edge structure (nano-XANES) spectromicroscopy techniques were used to probe elemental and chemical state information of the aggregate sample. We illustrated the complete chemical speciation methodology of the model particle by using XMIDAS. Next, we demonstrated the application of this approach in detecting and characterizing nanoparticles associated with alveolar macrophages. Our multimodal approach combining nano-XRF, nano-XANES, and differential phase-contrast imaging efficiently visualizes the chemistry of localized nanostructure with the morphology. We believe that the optimized data-reduction strategies and tool development will facilitate the analysis of complex biological and environmental samples using X-ray spectromicroscopy techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multimodal Chemical Characterization of Brown Carbon in Atmosphere and Snowpack during SAIL Field Campaign Report

The main goal of this field project was to characterize the chemical and physical properties of light-absorbing particles (LAP) present in the atmosphere and snowpack. The specific field efforts included: 1) online measurement and sampling of light-absorbing particles using a Magee Scientific model AE33 aethalometer (AE33) and a time-resolved aerosol collector (TRAC); and 2) sampling of snowpack during observed events of LAP deposition on snow, confirmed by onsite U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility measurements and meteorological data. The ongoing research objectives of our follow-up sample and data analysis include: 1) Characterization of aerosol regimes and sources, identifying particle-type populations, mixing states, and atmospheric transformations based on correlative analysis of our detailed chemical imaging and chemical characterization measurements and real-time records from the second ARM Mobile Facility (AMF2) and other instruments available from the Surface Atmosphere Integrated Field Laboratory (SAIL) experiment; 2) Assessment of the optical and chemical properties of snowpack deposits to investigate how aerosol deposition influences snowpack lifetime.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Quantum Algorithms for Collider Physics (Final Report)

The goal of this project was to unite powerful analysis techniques in high-energy physics (HEP) with cutting-edge advances in quantum information science (QIS). Almost every event at the Large Hadron Collider (LHC) involves jets, collimated sprays of particles that are copiously produced in proton-proton collisions. Current LHC algorithms to identify and classify jets are constrained by the limits of classical computation. Quantum algorithms could fundamentally change how collider data is analyzed, by speeding up existing classical algorithms and by enabling new quantum jet representations. By exploiting the capabilities of quantum computation, this research confronted the challenge of data analysis in collider physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Convergence Analysis for an Online Data-Driven Feedback Control Algorithm

This paper presents convergence analysis of a novel data-driven feedback control algorithm designed for generating online controls based on partial noisy observational data. The algorithm comprises a particle filter-enabled state estimation component, estimating the controlled system’s state via indirect observations, alongside an efficient stochastic maximum principle-type optimal control solver. By integrating weak convergence techniques for the particle filter with convergence analysis for the stochastic maximum principle control solver, we derive a weak convergence result for the optimization procedure in search of optimal data-driven feedback control. Numerical experiments are performed to validate the theoretical findings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

TRISO fuel performance analysis: Uncertainty quantification toward optimization

Tri-structural isotropic (TRISO) fuel particles are a fuel form being considered for potential use in next-generation nuclear reactors (i.e., high-temperature gas-cooled reactors). Though the TRISO fuel manufacturing process has continually advanced in recent years, particle comparisons still reveal statistical variations and uncertainties in terms of geometric configurations and material properties. Given that the physical processes ongoing in TRISO fuel particles during reactor operation are highly correlated with each other, a small degree of uncertainty in one model may lead to significant uncertainty in another. This makes appropriate uncertainty quantification of TRISO fuel particles essential. However, one may wonder about the extent to which the current version of TRISO particles has been optimized, and whether any room remains for further improvements. This paper quantifies TRISO fuel performance model uncertainties that stem from geometric and material data. For this analysis, the BISON code was used, and the Advanced Gas Reactor (AGR)-2 experiment served as a reference case. A total of 10 5 calculations was performed for the uncertainty and optimization analysis, altering the geometric and material data within their uncertainty range. Lastly, the optimization potential of TRISO particles is evaluated from a fuel performance perspective.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Analysis of parton distributions in a pion with Bézier parametrizations

We explore the role of parametrizations for nonperturbative QCD functions in global analyses, with a specific application to extending a phenomenological analysis of the parton distribution functions (PDFs) in the charged pion realized in the xFitter fitting framework. The parametrization dependence of PDFs in our pion fits substantially enlarges the uncertainties from the experimental sources estimated in the previous analyses. We systematically explore the parametrization dependence by employing a novel technique to automate generation of polynomial parametrizations for PDFs that makes use of Bézier curves. This technique is implemented in a ++ module that is included in the xFitter program. Our analysis reveals that the sea and gluon distributions in the pion are not well disentangled, even when considering measurements in leading-neutron deep inelastic scattering. For example, the pion PDF solutions with a vanishing gluon and large quark sea are still experimentally allowed, which elevates the importance of ongoing lattice and nonperturbative QCD calculations, together with the planned pion scattering experiments, for conclusive studies of the pion structure. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Pseudospin-doublet bands and Gallagher Moszkowski doublet bands in 100 Y

New transitions in neutron-rich 100 Y have been identified in a 9 Be + 238 U experiment with mass and Z gates to provide full fragment identification. These transitions and high spin levels of 100 Y have been investigated by analyzing the high statistics γ–γ–γ and γ–γ–γ–γ coincidence data from the spontaneous fission of 252 Cf at the Gammasphere detector array. Two new bands, 14 new levels, and 23 new transitions have been identified. The K π = 4 + new band decaying to a 1s isomeric state is assigned to be the high-K Gallagher-Moszkowski (GM) partner of the known K π = 1 + band, with the π5/2[522]Ⓧν3/2[411] configuration. This 4 + band is also proposed to be the pseudospin partner of the new K π = 5 + band with a 5 + π5/2[422] Ⓧ ν5/2[413] configuration, to form a π5/2[422] Ⓧ ν[3125/2,3/2] neutron pseudospin doublet. Here, constrained triaxial covariant density-functional theory and quantal particle rotor model calculations have been applied to interpret the band structure and available electromagnetic transition probabilities and are found to be in good agreement with experimental values.

100Y↗
DOE OSTI2020

Reproducibility and Replication of Experimental Particle Physics Results

Recently, much attention has been focused on the replicability of scientific results, causing scientists, statisticians, and journal editors to examine closely their methodologies and publishing criteria. Experimental particle physicists have been aware of the precursors of non-replicable research for many decades and have many safeguards to ensure that the published results are as reliable as possible. The experiments require large investments of time and effort to design, construct, and operate. Large collaborations produce and check the results, and many papers are signed by more than three thousand authors. This paper gives an introduction to what experimental particle physics is and to some of the tools that are used to analyze the data. It describes the procedures used to ensure that results can be computationally reproduced, both by collaborators and by non-collaborators. It describes the status of publicly available data sets and analysis tools that aid in reproduction and recasting of experimental results. It also describes methods particle physicists use to maximize the reliability of the results, which increases the probability that they can be replicated by other collaborations or even the same collaborations with more data and new personnel. Examples of results that were later found to be false are given, both with failed replication attempts and one with alarmingly successful replications. While some of the characteristics of particle physics experiments are unique, many of the procedures and techniques can be and are used in other fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Fabrication of MiniFuel Compacts for High-Power Irradiation Testing of TRISO Fuel

MiniFuel compacts containing 20 individual tristructural isotropic (TRISO)-coated fuel particles were characterized to provide supporting preirradiation characterization data. The preirradiated characterization data supports irradiation capsule design and safety analysis, as well as downstream postirradiation examination (PIE) for a planned MiniFuel irradiation to explore high particle powers. The analysis included dimensional inspection, x-ray radiography and tomography, as-fabricated defect fraction analysis, and a matrix impurity analysis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Understanding TRISO Coated Particle Neutron Irradiation Behavior:Evolution of Advanced Micro Analysis and Electron Microscopy Approaches

Objectives and motivation• Provide data for fuel qualification in support of reactor licensing• Establish a domestic commercial TRISO fuel fabrication capability Approach • Focus is on developing and testing UCO TRISO fuel –Develop fuel fabrication and QC measurement methods, first at lab scale and then at industrial scale –Perform irradiation testingover a range of conditions (burnup, temperature, fast neutron fluence) –Perform post-irradiation examination and safety testingto demonstrate and understand performance during irradiation and during accident conditions –Develop fuel performance modelsto better predict fuel behavior –Perform fission product transport experiments to improve understanding and refine models of fission product transport

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Concealed Cathode Degradation in Lithium-Ion Cells with a Ni-Rich Oxide

Difficulties with sourcing cobalt and the interest in increasing cell energy have motivated the development of Ni-rich oxide materials for lithium-ion battery cathodes. Despite the intense research on the topic, there is limited information available on the long-term performance of novel cathode formulations. Here, we evaluate the stability of LiNi 0.9 Mn 0.05 Co 0.05 O 2 in full-cells tested for over five months, assessing how cycling, voltage and electrolyte additives impact cathode aging. We use differential voltage analysis to extract insights about the cathode from the full-cell data and identify the isolation of cathode particles in the delithiated (charged) state as a relevant mode of aging. Importantly, this particular mechanism of cathode aging does not cause immediate cell capacity fade, causing the simple analysis of cell capacity retention to overestimate the cathode stability under the investigated conditions. So, our observations serve as cautionary tale indicating that careful analysis of data from extended testing may be required for assessing the performance of Ni-rich cathodes and for evaluating how these materials are affected by electrolyte additives.

25 ENERGY STORAGE↗
DOE OSTI2026

Search for the production of Higgs-portal scalar bosons in the NuMI beam using the MicroBooNE detector

We present the strongest experimental limits to date on the mixing angle, 𝜃, with which a new scalar particle, 𝑆, mixes with the Higgs field in the mass range 110 MeV < 𝑚 𝑆 <155 MeV. This result uses the MicroBooNE liquid argon time projection chamber to search for decays of these Higgs-portal scalar particles through the 𝑆 → 𝑒 + ⁢𝑒 − channel with the decays of kaons in the NuMI neutrino beam acting as the source of the scalar particles. The analysis uses an exposure of 2.01 × 10 21 protons on target of NuMI beam data including periods when the beam focusing system was configured to focus positively charged hadrons and separate periods when negatively charged hadrons were focused. The analysis searches for scalar particles produced from kaons decaying in flight in the beam’s decay volume and at rest in the target and absorber. At 𝑚 𝑆 =125 MeV (𝑚 𝑆 =150 MeV) we set a limit of 𝜃 < 3.19 ×10 −4 (𝜃 < 2.79 ×10 −4 ) at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Analysis of neptunium oxides produced through modified direct denitration

Production of neptunium-237 ( 237 Np) target materials for plutonium-238 ( 238 Pu) radioisotope thermoelectric generators (RTGs) for deep space exploration requires advanced chemistry and engineering development. Currently, the domestic Pu-238 Supply Program at Oak Ridge National Laboratory produces neptunium dioxide (NpO 2 ) for target material using a modified direct denitration (MDD) flowsheet. Although the chemistry, reaction mechanisms, and product characteristics of MDD are well understood for uranium, corresponding studies of the neptunium system are still needed to continue optimization of target material properties, production equipment design, and production flowsheets. Here, the objective of this work is to characterize crystalline phases, morphology, surface texture, and particle size of NpO 2 produced via MDD reactions. Solid-phase characterization techniques, including powder X-ray diffraction (pXRD) and scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS), were employed to achieve this objective. Subsequent data processing using the Morphological Analysis for Material Attribution (MAMA) software was performed to analyze particle morphology and size. Broadly, the powders were found to contain a mixture of NpO 2 and Np 2 O 5 after denitration with a variety of morphologies. After high-firing, the product was found to be NpO 2 with a typical polycrystalline oxide morphology and a grain size ranging from 0.72 to 0.94 µm. These analyses provide knowledge on the reaction pathway for a non-traditional NpO 2 synthesis method and offer additional unique insight into production-scale environments for transuranic materials.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

FY23 Update: Aerosol Sampling for the Canister Deposition Field Demonstration

This report describes the results of preliminary testing of aerosol monitoring equipment that will be used to continuously monitor the aerosol source term for the multi-year Canister Deposition Field Demonstration (CDFD). These data are required inputs for the development and validation of models for the deposition of dust and potentially corrosive salts on the surface of spent nuclear fuel (SNF) dry storage canisters. Surface salt loads correlate with the extent of corrosion damage on a metal surface, and potentially to the likelihood and timing of initiation of stress corrosion cracks. Aerosols will be monitored at the CDFD site using three instruments. A Dekati ® ELPI+ cascade impactor will be used for real-time monitoring of aerosol particle sizes. It will also collect dust in 14 size bins on impactor targets that can be chemically analyzed to determine the soluble salts present as a function of particle size. However, this instrument can only measure dried aerosols, with a diameter of <10 µm. The second instrument is a Topas laser particle size spectrometer, which provides real-time monitoring of aerosol particle sizes up to ~40 µm in size. It monitors both the ambient (potentially deliquesced) aerosol particle size distributions required for the dust deposition models and the distributions of the equivalent dried particles, allowing correlation with the Dekati ® data. However, it does not discriminate between inert dust particles and salt aerosols, and it does not retain samples of the different particle sizes for later analysis. The third instrument that will monitor aerosols at the CDFD site is a Clean Air Status and Trends Network (CASTNET) tower, which uses a multiple canister system to collect weekly samples for analysis to total suspended aerosol particle compositions and atmospheric gas concentrations. This status report describes work in FY23 to develop the capabilities for using these tools. In two training exercises, the cascade impactor and laser particle sizer were deployed in two different testing environments, one indoor and one outdoor. For the cascade impactor, the tests provided opportunities for the operators to familiarize themselves with impactor substrate preparation, and post-test sample removal and analysis. For the laser particle sizer, the tests were used to evaluate different instrument parameters, to determine the most appropriate settings for capturing transient events. Data and samples were collected for weeks to months for each test, and the results are presented here. In addition to the preliminary testing, contracts were developed with WSP Analytical Labs for sample preparation and analysis of the cascade impactor samples. The impactor tower from outdoor test was delivered to WSP and used to train the staff there in disassembly, sample extraction, sample analysis, and tower reassembly with new target substrates. These are tasks that WSP will be performing routinely for the CDFD project. The CASTNET system cannot be purchased or tested until an actual site has been selected for the CDFD test. Work for this FY has been restricted to preparation of contracts for purchasing the CASTNET tower, and for sample analysis, once the tower is in operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗