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DOE OSTI2021

Bayesian tensorized neural networks with automatic rank selection

Tensor decomposition is an effective approach to compress over-parameterized neural networks and to enable their deployment on resource-constrained hardware platforms. However, directly applying tensor compression in the training process is a challenging task due to the difficulty of choosing a proper tensor rank. In order to address this challenge, this paper proposes a low-rank Bayesian tensorized neural network. Our Bayesian method performs automatic model compression via an adaptive tensor rank determination. We also present approaches for posterior density calculation and maximum a posteriori (MAP) estimation for the end-to-end training of our tensorized neural network. Here, we provide experimental validation on a two-layer fully connected neural network, a 6-layer CNN and a 110-layer residual neural network where our work produces 7.4x to 137x more compact neural networks directly from the training while achieving high prediction accuracy.

Low-rank tensor↗

DOE OSTI2021

Constitutive Model of Radiation Aging Effects in Filled Silicone Elastomers under Strain

Filled silicone elastomers, an essential component in many technological applications, are often subjected to controlled or unintended radiation for a variety of reasons. Radiation exposure can lead to permanent mechanical and structural changes in the material, which is manifested as altered mechanical response, and in some cases, a permanent set. For unfilled elastomers, network theories developed and refined over decades can explain these effects in terms of chain-scission and cross-link formation and a hypothesis involving independent networks formed at different strain levels of the material. In this work, we expose a filled silicone rubber to gamma radiation while being under finite elongational strain and show that the observed mechanical and structural changes can be quantitatively modeled within the same theoretical framework developed for unfilled elastomers as long as nuances associated with the Mullins effect are accounted for in a consistent manner. In this work, we employ Ogden’s incompressible hyperelastic model within the framework of Tobolsky’s two-network scheme to describe the observed permanent set and mechanical modulus changes as a function of radiation dosage. In the process, we conclude that gamma radiation induces both direct cross-linking at chain crossings (H-links) and main-chain-scission followed by cross-linking (Y-links). We provide an estimate of the ratio of chain-scission to cross-linking rates, which is in reasonable agreement with previous experimental estimate from Charlesby–Pinner analysis. We use density functional theory (DFT)-based quantum mechanical calculations to explore the stability of –Si and –SiO radicals that form upon a radiation-induced chain-scission event, which sheds light on the relative rates of Y-linking and H-linking processes.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Tandem Electrocatalytic CO 2 Reduction with Efficient Intermediate Conversion over Pyramid-Textured Cu–Ag Catalysts

If combined with renewably generated electricity, electrochemical CO 2 reduction (E-CO 2 R) could be used as a sustainable source of chemicals and fuels. Tandem catalysis approaches are attractive for providing the product selectivity, which would be required for commercial applications. Here, we demonstrate a two-step tandem electrocatalytic E-CO 2 R with efficient conversion of the intermediate species. The catalyst scaffold is Si(100), which is etched to form a textured surface consisting of micron-sized pyramid structures with the {111} facets. Two metals are used in the electrocatalytic cascade: Ag is employed to perform a two-electron reduction of CO 2 to the intermediate CO, and Cu performs conversion to more reduced products. Using high-angle physical vapor deposition, we form separated, micron-scale areas of the two electrocatalysts on opposite sides of the pyramids, with their relative surface coverages being tunable with the deposition angle. Compared to the textured scaffolds with blanket Ag and Cu used as controls, bimetallic pyramid tandem catalysts have higher current densities and much lower faradic efficiencies (FE) for CO. These effects are due to efficient conversion of the CO formed on Ag to more reduced products on Cu. Methane is the main product to be enhanced by the cascade pathway: a bimetallic catalyst with approximately equal coverages of Ag and Cu produces methane with a FE of 62% at -1.1 V RHE , corresponding to a partial current density of 12.7 mA cm -2 . We estimate an intermediate conversion yield for the CO intermediate of 80-90%, which is close to the mass-transport limited value predicted by reaction-diffusion simulations.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A Comprehensive Northern Hemisphere Particle Microphysics Data Set From the Precipitation Imaging Package

Microphysical observations of precipitating particles are critical data sources for numerical weather prediction models and remote sensing retrieval algorithms. However, obtaining coherent data sets of particle microphysics is challenging as they are often unindexed, distributed across disparate institutions, and have not undergone a uniform quality control process. This work introduces a unified, comprehensive Northern Hemisphere particle microphysical data set from the National Aeronautics and Space Administration precipitation imaging package (PIP), accessible in a standardized data format and stored in a centralized, public repository. Data is collected from 10 measurement sites spanning 34° latitude (37°N–71°N) over 10 years (2014–2023), which comprise a set of 1,070,000 precipitating minutes. The provided data set includes measurements of a suite of microphysical attributes for both rain and snow, including distributions of particle size, vertical velocity, and effective density, along with higher-order products including an approximation of volume-weighted equivalent particle densities, liquid equivalent snowfall, and rainfall rate estimates. The data underwent a rigorous standardization and quality assurance process to filter out erroneous observations to produce a self-describing, scalable, and achievable data set. Case study analyses demonstrate the capabilities of the data set in identifying physical processes like precipitation phase-changes at high temporal resolution. Bulk precipitation characteristics from a multi-site intercomparison also highlight distinct microphysical properties unique to each location. This curated PIP data set is a robust database of high-quality particle microphysical observations for constraining future precipitation retrieval algorithms, and offers new insights toward better understanding regional and seasonal differences in bulk precipitation characteristics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Measuring dynamics of differentially rotating, unmagnetized, free-boundary plasma produced by soft x-ray irradiation

We present results from a new experiment, fielded on the MAGPIE pulsed power generator, producing a rotating, boundary-free plasma with no pre-imposed magnetic field. Angular momentum is introduced to the rotating system by the oblique collision of multiple plasma flows, which are driven by x-ray ablation of solid targets using the soft x-rays emitted from the implosion of wire array z-pinches. This produces a hydrodynamically stable plasma which undergoes ~2-3 rotations over the duration of the experiment, significantly more than previous pulsed-power platforms. Estimating the angular frequency from the electron density profile in the inner part of the rotating plasma shows that it has a quasi-Keplerian rotation profile. The system also allows for the addition of a controllable magnetic field. This, combined with the sufficiently large Reynolds (~10 5 ) and magnetic Reynolds (~10) numbers, will enable investigation of the effect of magnetic field on the structure and stability of the rotating plasma.

Physics - Plasma physics↗

DOE OSTI2023

Progenitors and explosion properties of supernova remnants hosting central compact objects: II. A global systematic study with a comparison to nucleosynthesis models

ABSTRACT Core-collapse explosions of massive stars leave behind neutron stars, with a known diversity that includes the ‘Central Compact Objects’ (CCOs). Typified by the neutron star discovered near the centre of the Cas A supernova remnant (SNR), CCOs have been observed to shine only in X-rays. To address their supernova progenitors, we perform a systematic study of SNRs that contain a CCO and display X-ray emission from their shock-heated ejecta. We make use of X-ray data primarily using the Chandra X-ray observatory, complemented with XMM–Newton. This study uses a systematic approach to the analysis of each SNR aimed at addressing the supernova progenitor as well as the explosion properties (energy and ambient density). After fitting for the ejecta abundances estimated from a spatially resolved spectroscopic study, we compare the data to six nucleosynthesis models making predictions on supernova ejecta yields in core-collapse explosions. We find that the explosion models commonly used by the astrophysics community do not match the ejecta yields for any of the SNRs, suggesting additional physics, for example multidimensional explosion models or updated progenitor structures, are required. Overall we find low-mass (≤25 solar masses) progenitors among the massive stars population and low-energy explosions (<1051 ergs). We discuss degeneracies in our model fitting, particularly how altering the explosion energy affects the estimate of the progenitor mass. Our systematic study highlights the need for improving on the theoretical models for nucleosynthesis predictions as well as for sensitive, high-resolution spectroscopy observations to be acquired with next generation X-ray missions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Unravelling the orbits of cluster galaxy populations according to their dominant gas ionization source

ABSTRACT We investigate the kinematical and dynamical properties of cluster galaxy populations classified according to their dominant source of gas ionization, namely: star-forming (SF) galaxies, optical active galactic nuclei (AGNs), mixed SF plus AGN ionization (transition objects, T), and quiescent (Q) galaxies. We stack 8892 member galaxies from 336 relaxed galaxy clusters to build an ensemble cluster and estimate the observed projected profiles of numerical density and velocity dispersion, $\sigma _P(R)$, of each galaxy population. The MAMPOSSt code and the Jeans equations inversion technique are used to constrain the velocity anisotropy profiles of the galaxy populations in both parametric and non-parametric ways. We find that Q (SF) galaxies display the lowest (highest) typical cluster-centric distances and velocity dispersion values. Transition galaxies are more concentrated and tend to exhibit lower velocity dispersion values than SF galaxies. Galaxies that host an optical AGN are as concentrated as Q galaxies but display velocity dispersion values similar to those of the SF population. MAMPOSSt is able to find equilibrium solutions that successfully recover the observed $\sigma _P(R)$ profile only for the Q, T, and AGN populations. We find that the orbits of all populations are consistent with isotropy in the inner regions, becoming increasingly radial with the distance from the cluster centre. These results suggest that Q galaxies are in equilibrium within their clusters, while SF galaxies have more recently arrived in the cluster environment. Finally, the T and AGN populations appear to be in an intermediate dynamical state between those of the SF and Q populations.

Valk, Greique A. (ORCID:0009000827731299)↗

DOE OSTI2024

Structure Factors for Hot Neutron Matter from Ab Initio Lattice Simulations with High-Fidelity Chiral Interactions

We present the first ab initio lattice calculations of spin and density correlations in hot neutron matter using high-fidelity interactions at next-to-next-to-next-to-leading order in chiral effective field theory. These correlations have a large impact on neutrino heating and shock revival in core-collapse supernovae and are encapsulated in functions called structure factors. Unfortunately, calculations of structure factors using high-fidelity chiral interactions were well out of reach using existing computational methods. In this Letter, we solve the problem using a computational approach called the rank-one operator (RO) method. The RO method is a general technique with broad applications to simulations of fermionic many-body systems. It solves the problem of exponential scaling of computational effort when using perturbation theory for higher-body operators and higher-order corrections. Using the RO method, we compute the vector and axial static structure factors for hot neutron matter as a function of temperature and density. Here, the ab initio lattice results are in good agreement with virial expansion calculations at low densities but are more reliable at higher densities. Random phase approximation codes used to estimate neutrino opacity in core-collapse supernovae simulations can now be calibrated with ab initio lattice calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

SPATIOTEMPORAL TRACKING OF WIDE AREA POWER OUTAGE FROM NIGHT-TIME LIGHT IMAGERY

Monitoring progress of power restoration following extreme events is essential for situational awareness about spatio-temporal distribution of populations without power and to help with response efforts. Because of the proprietary nature of restoration data, and the difficulty in obtaining power outage data from utility companies in near real-time (e.g., during hurricane Maria (2017)), this project used satellite derived nighttime lights data from Visible Infrared Imaging Radiometer Suite (VIIRS) Day/Night Band (DNB) to (i) monitor wide area power outage and (ii) estimate impacted customers over time to assist with restoration. A discussion of the methodology and its implementation during hurricanes Maria (2017) and Eta (2020) is presented in this paper. Future work will focus on calibrating estimated customers based on light intensity and density distribution, and generation of restoration profiles for emergency response.

Kar, Bandana↗

DOE OSTI2021

Tritium Betavoltaic Powered Sensor Platforms: Power Augmentation with Scintillating Particles

Betavoltaics (BV) are long-life power sources that typically convert beta particle radiation into electricity. Largely, the radioactive decays within the source go unharvested by the device. This work seeks to augment the power generation of BV devices by integration of scintillating particles within the radiative getter to convert beta emission which would otherwise not leave the getter into usable light for power generation. Silica-covered barium fluoride scintillating particles were integrated into a tritiated water getter. Power generation was increased from 100s of nW to µW levels with the addition of 0.2 wt. % particles into the getter. Nanowatt-scale sensor platforms were demonstrated with the µW BV devices and the maximum possible lifetime of such platforms was estimated. As this technique enables higher power density BV devices from conventional Si semiconductors (compared to wider bandgap BVs), the further implementation may lower the barrier-to-deployment of these long-life power/sensor platforms.

42 ENGINEERING↗

DOE OSTI2023

Early Results from GLASS-JWST. XI. Stellar Masses and Mass-to-light Ratio of z > 7 Galaxies

We exploit James Webb Space Telescope (JWST) NIRCam observations from the GLASS-JWST-Early Release Science program to investigate galaxy stellar masses at z > 7. We first show that JWST observations reduce the uncertainties on the stellar mass by a factor of at least 5–10, when compared with the highest-quality data sets available to date. We then study the UV mass-to-light ratio, finding that galaxies exhibit a a two orders of magnitude range of M / L UV values for a given luminosity, indicative of a broad variety of physical conditions and star formation histories. As a consequence, previous estimates of the cosmic stellar-mass density—based on an average correlation between UV luminosity and stellar mass—can be biased by as much as a factor of ~6. Our first exploration demonstrates that JWST represents a new era in our understanding of stellar masses at z > 7 and, therefore, of the growth of galaxies prior to cosmic reionization.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Quantifying carrier density in monolayer MoS 2 by optical spectroscopy

The successful design and device integration of nanoscale heterointerfaces hinges upon precise manipulation of both ground- and excited-state charge carrier (electron and hole) densities. However, it is particularly challenging to quantify these charge carrier densities in nanoscale materials, leading to uncertainties in the mechanisms of many carrier density-dependent properties and processes. Here, we demonstrate a method that utilizes steady-state and transient absorption spectroscopies to correlate monolayer MoS 2 electron density with the easily measured metric of excitonic optical absorption quenching in a variety of mixed-dimensionality s-SWCNT/MoS 2 heterostructures. By employing a 2D phase-space filling model, the resulting correlation elucidates the relationship between charge density, local dielectric environment, and concomitant excitonic properties. The phase-space filling model is also able to describe existing trends from the literature on transistor-based measurements on MoS 2 , WS 2 , and MoSe 2 monolayers that were not previously compared to a physical model, providing additional support for our method and results. The findings provide a pathway to the community for estimating both ground- and excited-state carrier densities in a wide range of TMDC-based systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Analysis of Unpolarised p+p¿ Photoproduction with the GlueX Experiment

This thesis presents measurements of spin-density matrix elements in unpolarised p+p? photoproduction on a proton target. The dominant resonance contribution to the dipion system is the r(770) meson. Due to the large production cross section for this resonance, a valid comparison can be made between the obtained final results and r(770) spin-density matrix elements measured previously with other experiments. The measurement was performed over the 3:0 ? 11:6 GeV beam energy regime, which is a more extensive energy range than has ever been studied previously for the r(770). Results were obtained by analysing data from the GlueX experiment based at Jefferson Lab. Extended maximum likelihood fits were applied to extract three spin-density matrix elements using Markov chain Monte Carlo based parameter estimations. This was performed using various binning configurations to probe the energy, mass, and four-momentum transfer dependence of the determined physics observables. Spin-density matrix elements are shown to be consistent with the model of s-channel helicity conservation at low ?t. The effects of pomeron and f2 exchanges are clearly visible in the energy dependence of the measured observables. These observations provide valuable insights into the relative strengths of both processes as a function of the photon energy, and may enable theorists to disentangle the f2=P coupling ratio. Spin-density matrix elements are seen to be highly dependent on the reconstructed resonance mass. This observation is likely to be a result of non-resonant S-wave background processes, and emphasises the need for a more detailed model of the p+p? angular distribution that considers all of the competing angular momentum components that contribute to the measured final state. The statistical precision of measurements performed for this thesis surpass what was achievable in previous studies of the r(770) by several orders of magnitude. Studies of the energy and four-momentum transfer dependence, and insights into the effects of non r(770) background contributions provide valuable input for production models. This will help inform the choice of wave-sets used for partial wave analyses, supporting GlueX in its search for exotic hybrid meson states.

Fitches, James↗

DOE OSTI2024

Martensite decomposition during rapid heating of Ti-6Al-4V studied via in situ synchrotron X-ray diffraction

Martensite, α‘, commonly appears in Ti-6Al-4V upon rapid cooling from above the β-transus temperature. It is known that α‘ decomposes into α and β at high temperatures but well below the β-transus temperature. Here, we study the decomposition of martensitic Ti-6Al-4V under rapid laser heating, employing in situ synchrotron X-ray diffraction. A comparison is made with post-annealed Ti-6Al-4V under heating to elucidate changes without martensite decomposition. The fast acquisition of X-ray diffraction data at 250 Hz temporally resolves the decomposition process initiated by annihilating dislocations in α‘. The recovery process is accompanied by structural changes in martensite, followed by the phase transformation to β. Thermal profiles estimated from the lattice parameter data reveal the influence of heating rates and dislocation densities on the decomposition process. Throughout the analysis of the diffraction profiles with respect to estimated temperature, we propose a straightforward method for approximating the initiation temperature of martensite decomposition.

42 ENGINEERING↗

DOE OSTI2022

Intermediate scattering potential strength in electron-irradiated YBa 2 Cu 3 O 7-δ from London penetration depth measurements

Temperature-dependent London penetration depth, λ(T), of a high quality optimally-doped YBa 2 Cu 3 O 7-δ single crystal was measured using tunnel-diode-resonator technique. Controlled artificial disorder was induced by low-temperature 20 K irradiation by 2.5 MeV electrons at two large doses of 3.8 x 10 19 and 5.3 x 10 19 electrons per cm 2 . The irradiation caused significant suppression of the superconductor's critical temperature, T c , from 94.6 K to 90.0 K, and to 78.7 K, respectively. The low-temperature behavior of λ(T) evolves from a T-linear in pristine state to a T 2 behavior after irradiation, expected for a line-nodal d-wave superconductor. However, the original theory that explained such behavior assumed a unitary limit of the scattering potential, whereas usually in normal metals and semiconductors, Born scattering is sufficient to describe the experiment. To estimate the scattering potential strength, we calculated the superfluid density, ρ s (t = T/T c ) = λ 2 (0)/λ 2 (T), varying the amount and strength of non-magnetic scattering using a self-consistent t-matrix theory. Fitting the obtained curves to a power law, ρ s = 1 - Rt n , and to a polynomial, ρ s = 1 - At - Bt 2 , and comparing the coefficients n in one set and A and B in another with the experimental values, we estimate the phase shift to be around 70 and 65°, respectively. We correlate this result with the evolution of the density of states with nonmagnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Helium metastable density determination in the COST reference source by absolutely calibrated optical emission spectroscopy

Helium metastable densities in the COST Reference Microplasma Jet are estimated for a variety of He/N2 admixtures and dissipated powers by applying a collisional-radiative model to absolutely calibrated optical emission spectroscopy measurements. This is accomplished by delineating the excitation mechanisms that result in the N2(C–B) and N2+(B–X) emission bands, the latter of which is strongly coupled to the presence of helium metastables. A number of other plasma parameters are established and discussed for each operating condition including the electron energy distribution function, reduced electric field, rate constants, and electron density. With these parameters, the reaction rates for the primary ionization pathways are also calculated, emphasizing the importance of helium metastables for discharge sustainment. Good agreement with the existing literature is found for most plasma parameters and for helium metastable densities, in particular. A clear [N2]−1 relationship between the nitrogen concentration and density of helium metastables is demonstrated, as has been identified in previous studies in analogous atmospheric pressure plasma jets. This validates the efficacy of this optical technique for determining helium metastable densities and establishes it as a viable, and in many cases, more accessible alternative to other means of quantifying helium metastables in low-temperature plasmas.

Physics↗

DOE OSTI2024

Spatial decay of electromagnetic waves from hypervelocity impact plasmas

Due to the high kinetic energy of impactors in space, hypervelocity impacts on spacecraft can ablate spacecraft material and produce plasmas. These plasmas have been observed in ground-based experiments to produce electromagnetic pulses (EMPs) and are suspected to be a cause of spacecraft anomalies. The initial EMP that is produced after plasma formation is replicated using a 2D electromagnetic plasma simulation, consisting of a discontinuous Galerkin, particle-in-cell (DG-PIC) framework. The spontaneous formation of EMPs from an initial quasineutral plasma is consistent with previous works and show behavior similar to that of waves emitted by antennas. The EMP emits from the plasma with a frequency less than the plasma frequency associated with the point of maximum density, showing the importance of the density gradient, and the far-field region of the “plasma antenna” is estimated. From the proportionality between plasma frequency and EMP frequency, there is a direct correlation between plasma density and radiation. Finally, as the plasma density decreases, the EMP frequency decreases, which suggests that several observable phenomena, such as optical flashes, radio frequency emission, and microwave emission, all result from the same plasma-related mechanism within a single hypervelocity impact.

42 ENGINEERING↗

DOE OSTI2021

TP099-CT-800DR Comparison Between SIRZ-2 and Surface Fit Method ($ρ_{e},Ζ_{e}$) Estimation

The primary objective of this test plan is to acquire dual-energy computed tomography (CT) data of 33 well-known specimens using the Leidos Reveal CT-80DR+ baggage scanner housed at LLNL (hereafter referred to as CT-80DR). These data sets will allow us to compare, for each specimen, the accuracy and precision of electron density ($ρ_{e}$) and effective atomic number ($Z_{e}$) estimates obtained from two different algorithmic methods— from TSL’s surface fits and from LLNL’s SIRZ-2 decomposition. A secondary objective is to determine how often it is necessary to acquire CT-80DR spectral response information.

42 ENGINEERING↗