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DOE OSTI2025

Extending the Nuclide Inventory Validation Basis for High-Burnup Fuel with New Radiochemical Assay Data

Efforts are underway at Oak Ridge National Laboratory to improve the nuclide inventory validation basis for spent nuclear fuel at high burnups. Recently conducted radiochemical assay experiments provided new measurement data for nine samples of fuel irradiated in a pressurized water reactor, with estimated sample burnups in the 30 to 70 GWd/t range. This type of destructive assay data is essential for validating computational methods, tools, and nuclear data applied in nuclear safety analyses and for improving our understanding of the bias and uncertainty in code predictions. The measurement data include key actinides and fission products that span a gamut of needs and interests for nuclear science and engineering applications in criticality safety, reactor physics, nuclide inventory, decay heat, and radiation shielding. The SCALE 6.3 code system with ENDF/B-VII.1 cross-section libraries was used to simulate the irradiation histories of the measured fuel samples. The calculated nuclide concentrations are compared to corresponding measurement data. The significance of the comparisons is discussed, emphasizing how the addition of the new measurement data fills gaps in the validation basis at high burnups and contributes to the decrease in bias and uncertainty for predicted nuclide concentrations. The discussion addresses the effect of the sample burnup used in the simulation—which is based on reactor operator records or on calibration to measured data for burnup indicator fission products—on the validation results.

Nuclide inventory↗

DOE OSTI2025

Polarization-shape alignment of IllustrisTNG star-forming galaxies

In star-forming disk galaxies, the radio continuum emission (1–10GHz) powered by star formation has an integrated polarization direction imperfectly aligned with the apparent disk minor axis. This polarization-shape alignment effect was previously observed in a small sample of local spirals. If this is prevalent for disk galaxies out to cosmological redshifts, novel measurements of cosmic birefringence and cosmic shear will be enabled by leveraging radio continuum surveys such as the Square Kilometre Array synergized with galaxy shape measurements. We calculate the polarization-shape misalignment angle for star-forming galaxies in the IllustrisTNG50 simulation at 0 < z < 2, assuming that additional polarized radio emission from an active galactic nucleus is negligible in at least a sizable fraction of the star-forming galaxies. The alignment found for z = 0 is consistent with local spiral data, but significantly deteriorates as redshift increases. Moreover, it degrades toward lower frequencies due to internal Faraday depolarization. Thanks to cosmic redshifting, observing higher-z galaxies at a fixed frequency greatly mitigates degradation due to reduced Faraday depolarization at the source-frame frequency. We present analytic fits to the non-Gaussian misalignment angle distribution, and evaluate Fisher information per galaxy for measuring a polarization rotation angle induced by cosmic birefringence. For observation at 4.8 GHz, the effective root-mean-square misalignment angle σα,eff is 18°, 23° and 33° at z = 0, 1 and 2, respectively. Analyzing N independent galaxies reduces the uncertainty on an isotropic cosmic birefringence signal to σ α,eff /√(N), providing competitive sensitivity once large samples are available. As accurate observation-driven models are not yet available for cosmological galaxy samples, our results motivate pilot observations to empirically characterize polarization-shape alignment, and can facilitate forecasts of cosmology and fundamental physics applications that exploit this effect.

axions↗

DOE OSTI2024

Prediction of the Cu Oxidation State from EELS and XAS Spectra Using Supervised Machine Learning

Electron energy loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) provide detailed information about distributions and locations of atoms, their coordination numbers and oxidation states, and the bonding characteristics [1]. However, analysis of XAS/EELS data often relies on matching the spectra of an unknown experimental sample to a series of simulated or experimental spectra of standard samples. Here, this limits analysis throughput and the ability to extract quantitative information from a sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Thermal transport in compensated semimetals: Effect of electron-electron scattering on Lorenz ratio

It is well known that the electronic thermal conductivity of clean compensated semimetals can be greatly enhanced over the electric conductivity by the availability of an ambipolar mechanism of conduction, whereby electrons and holes flow in the same direction experiencing negligible Coulomb scattering as well as negligible impurity scattering. This enhancement—resulting in a breakdown of the Wiedemann-Franz law with an anomalously large Lorenz ratio—has been recently observed in two-dimensional monolayer and bilayer graphene near the charge neutrality point. In contrast to this, three-dimensional compensated semimetals such as WP 2 and Sb are typically found to show a reduced Lorenz ratio. Here, we investigate the reasons for this difference, focusing on the low-temperature regime where the electron-electron scattering is expected to dominate over other scattering mechanisms. We show that the different regimes of Fermi statistics (nondegenerate electron-hole liquid in graphene versus degenerate electron-hole liquid in compensated semimetals) are not sufficient to explain the reduction of the Lorenz ratio in the latter. We propose that the solution of the puzzle lies in the large separation of electron and hole pockets in momentum space, which allows compensated semimetals to sustain sizable regions of electron-hole accumulation near the contacts. These accumulations suppress the ambipolar conduction mechanism and effectively split the system into two independent electron and hole conductors. We present a quantitative theory of the crossover from ambipolar to unipolar conduction as a function of the size of the electron-hole accumulation regions, and show that it naturally leads to a sample-size-dependent thermal conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

GP Cosmology Surrogate v1.0

GP Cosmology Surrogate is a Python library for building and training a generalized multi-output Gaussian process (GP) framework of @takhtaganov2021cosmic. In this approach, the surrogate is constructed sequentially, guided by a Bayesian optimization acquisition function that targets reduction of emulation error in the regions most consistent with the observational data. This adaptive design concentrates computational resources where they have the greatest impact on inference accuracy. The library supports efficient training for separable GP kernels, which allows the use of Kronecker algebra to handle high-dimensional input spaces and large numbers of correlated outputs. This makes it well suited for applications such as modeling cosmological power spectra, large-scale physical simulations, and multi-output hyperparameter tuning. By combining scalable multi-output GP modeling with data-driven adaptive sampling, GPsurrogate enables parameter inference and optimization with substantially fewer simulations than conventional space-filling designs.

Lukic, Zarija [Lawrence Berkeley National Laborato↗

DOE OSTI2023

Single-pixel reconstructive mid-infrared micro-spectrometer

Miniaturized spectrometers in the mid-infrared (MIR) are critical in developing next-generation portable electronics for advanced sensing and analysis. The bulky gratings or detector/filter arrays in conventional micro-spectrometers set a physical limitation to their miniaturization. In this work, we demonstrate a single-pixel MIR micro-spectrometer that reconstructs the sample transmission spectrum by a spectrally dispersed light source instead of spatially grated light beams. The spectrally tunable MIR light source is realized based on the thermal emissivity engineered via the metal-insulator phase transition of vanadium dioxide (VO 2 ). We validate the performance by showing that the transmission spectrum of a magnesium fluoride (MgF 2 ) sample can be computationally reconstructed from sensor responses at varied light source temperatures. With potentially minimum footprint due to the array-free design, our work opens the possibility where compact MIR spectrometers are integrated into portable electronic systems for versatile applications.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

JSPEC: A Program for IBS and Electron Cooling Simulation

JSPEC (JLab Simulation Package on Electron Cooling) is an open-source C++ program developed at Jefferson Lab to simulate the evolution of the ion beam under the intrabeam scattering effect and/or the electron cooling effect. JSPEC includes various models of the ion beam, the electron beam, and the friction force, aiming to reflect the latest advances in the field and to provide a useful tool to the community. JSPEC has been benchmarked against other cooling simulation codes and experimental data. It has been used to support the cooler design for JLEIC, an earlier JLab design for the Electron-Ion Collider. A Python wrapper of the C++ code, pyJSPEC, for Python 3.x environment has also been developed and released. It allows users to run JSPEC simulations in a Python environment and makes it possible for JSPEC to collaborate with other accelerator and beam modeling programs, as well as plentiful Python tools in data visualization, optimization, machine learning, etc. In this report, we introduce the features of JSPEC, with a focus on the latest development, and demonstrate how to use JSPEC and pyJSPEC with sample codes and numerical examples.

Accelerator Physics↗

DOE OSTI2023

Use of Electronic Laboratory Notebooks (ELN) in a Laboratory Information Management System (LIMS) [Slides]

The Actinide Analytical Chemistry (CAAC) group at Los Alamos National Laboratory (LANL) uses the LabWare LIMS (LabWare 7) system to manage our samples and material at risk. The LIMS system also provides other functionality which the Plasma Spectroscopy (PS) team has developed along with our LIMS team to provide streamlining and automation of all sample related actions required by PS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Available DT fusion neutron sources

For consideration for diagnostic and technology development for a deuterium and tritium (DT) fusion system, we briefly list here the available DT fusion systems, their characteristic information, such as yields, flux, the pulse width, rep rate and approximate spectrum. We also briefly list other neutron sources for comparison. This is not meant to be exhaustive but a sampling of recent and available sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Utilizing Bayesian Optimization for Efficient Dispersion Curve Feature Acquisition [Slides]

Locate features and densely sample near those features. This helps us calculate T 1 which is the magnitude of the deviation from the otherwise smooth monotonically increasing function. Get a generally good idea of the rest of the curve. Potentially incorporate the higher cost of sampling at higher frequencies and the fact that the features at higher frequencies are more valuable to identify. Create a useful physics informed mean function.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

LBNF Material Activation Study

This poster presents a study on material activation at the Fermilab Long-Baseline Neutrino Facility (LBNF), focusing on understanding how high-energy beams interact with surrounding materials to produce radioactive isotopes. Using a simplified model of the LBNF-20 bunker and the FLUKA Monte Carlo simulation tool, the project quantifies isotope production at key locations inside and outside the shielding structures. The study employs a two-step simulation process, tracking primary and secondary particles, and explores the impact of different geometric and material configurations on activation rates. Results include preliminary comparisons of simulated activation rates and suggest methods for refining geometry, improving accuracy, and efficiently simulating future configurations. This work informs the design and operation of the LBNF facility, aiding in radiation safety and shielding optimization. Future efforts will focus on sample iteration, automated simulations, and detailed residual isotope analyses to further enhance the understanding of material activation in high-energy physics environments.

Pietraszek, Jacob [Unlisted, US]↗

NASA NTRS1973

A study of degradation of plates for nickel-cadmium spacecraft cells

The relative merits of coining and not coining of sintered nickel-oxide and cadmium plates was investigated. A survey of the industry including cell manufactures and users was made and results summarized. Sample plate materials from most commercial cell suppliers were obtained and characterized for properties that may correlate with the tendency toward physical disintegration during handling and over long periods of time in the cell. Special test methods were developed to obtain comparative data in a short time. A wide range of physical properties and coining thicknesses was observed, resulting in a range of responses. The stronger, less brittle materials resisted loss of sinter better than weaker materials whether or not coined. Coining improved handling and resistance to electrochemical cycling in all materials tested. An apparent exception was found to be due to improper coining of a tapered edge.

Scott, W. R.↗

NASA NTRS1974

A study of degradation of plates for nickel-cadmium spacecraft cells

The relative merits of coining and not coining of sintered nickel oxide and cadmium plates was investigated. Sample plate materials from most commercial cell suppliers were obtained and characterized for properties that may correlate with the tendency toward physical disintegration during handling and over long periods of time in the cell. Special test methods were developed to obtain comparative data in a short time. A wide range of physical properties and coining thickness was observed, resulting in a range of responses. The stronger materials resisted loss of sinter better than weaker materials whether or not coined. Coining improved handling and resistance to electrochemical cycling of weaker materials. The mechanism of break-down of positive plate edges under cycling appears to be the same as that of thickening and blistering. Brittle, nonadherent sinter, resulting from certain impregnation processes, is the most vulnerable to degradation. It is concluded that the latter type of materials should be coined, but coining of strong materials is optional.

Scott, W. R.↗

NASA NTRS1977

Relative stiffness of flat-conductor cable

Bending moment data were taken on ten different cable samples and normalized to express all stiffness factors in terms of cable 5.1 cm in width. Relative stiffness data and nominal physical characteristics are tabulated and presented in graphical form for designers who may be interested in finding torques exerted on critical components by short lengths of cable.

Hankins, J. D.↗

NASA NTRS1984

Remote sensing for oceanography: Past, present, future

Oceanic dynamics was traditionally investigated by sampling from instruments in situ, yielding quantitative measurements that are intermittent in both space and time; the ocean is undersampled. The need to obtain proper sampling of the averaged quantities treated in analytical and numerical models is at present the most significant limitation on advances in physical oceanography. Within the past decade, many electromagnetic techniques for the study of the Earth and planets were applied to the study of the ocean. Now satellites promise nearly total coverage of the world's oceans using only a few days to a few weeks of observations. Both a review of the early and present techniques applied to satellite oceanography and a description of some future systems to be launched into orbit during the remainder of this century are presented. Both scientific and technologic capabilities are discussed.

Mcgoldrick, L. F.↗

NASA NTRS1984

Design and implementation of a low-gravity solidification experiment package for the F-104

The use of the F-104 Interceptor for low gravity materials processing experiments is extended to include alloy solidification studies above 1000 C. The F-104 can provide up to 60 seconds of low gravity, but requires a unique experiment package for integration into the aircraft, both physically and electronically. The current research with the F-104 experimental furnace system which has been used to process cast iron samples is described. Results demonstrate the capability of the facility and its operation.

Smith, G.↗

NASA NTRS1986

Candidate solar-type protostars in nearby molecular cloud cores

IRAS data have been used to examine the vicinity of nearly 100 dense clumps of molecular gas observed in lines of CO and NH3. More than one-third of these molecular cloud 'cores' contain infrared sources that appear to be newly formed, or forming, low mass stars. While about one-third of the infrared sources are associated with visible stars and have properties that resemble T Tauri stars, the remainder of the infrared sources have no optical counterparts and are probably embedded within the molecular cloud itself. These invisible sources lie close to the molecular cloud peaks and have cold, massive shells of material around them. Some of the cores without infrared sources have gas properties similar to those with embedded sources and so may be on the verge of gravitational collapse. The selection of the IRAS sample and its properties are described. The spectral energy distributions of the sources and their nature are discussed along with their physical properties, the properties of cores with and without infrared sources, and the time scale for the evolution of the sources.

Beichman, C. A.↗

NASA NTRS1988

Soil development and sampling strategies for the returned Martian surface samples

Sampling of the Martian surface materials should be based on the experience gained from the study of soils and rocks collected in cold, dry environments, i.e., dry valleys of Antarctica. Previous studies have suggested that some of our best terrestrial analogs of the Martian soils are represented by those found in the polar deserts of Antarctica. Special sampling considerations must be taken into account when obtaining these samples because they represent at least five distinct types of materials. Weathering of planetary regolith materials occurs from both chemical and physical interactions of the planet's surface materials with the atmosphere and, if present, the hydrosphere and biosphere along with extraplanetary objects which may produce the original surface materials and produce secondary materials that are product of equilibrium between the atmosphere and study weathering processes and regolith development occurring on Martian-like surfaces, simulation studies must be carried out in materials in the field.

Gibson, Everett K.↗