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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Configuration and impurity quantification of AmLi sources using radiography and gamma spectroscopy

This paper presents the non-destructive assay of two AmLi sources used for detector characterization and active interrogation at PNNL, identified as MRC-101 and MRC-103. First, a detailed description of the internal configuration of 2724-BT encapsulated MRC sources is established. X-ray radiographs of the AmLi sources are reported for the first time to verify the dimensions and orientation of the encapsulation. Notably, a density variation was observed as a contrast change across the height of the source cavities. Contrary to commonly made assumptions in literature, it is indirectly observed that the AmLi source/target material only occupies a portion of the source cavity. The intensity of the prompt gamma-rays resulting from the inelastic scatter of alpha particles on 7Li was used to calculate the mass ratios of LiH:AmO2. The gamma-ray spectra revealed the presence of numerous impurities in both source and target material (243Am, 237Np, 154Eu, 23Na, and 9Be). Neutron-gamma production ratios were applied to the intensity of the Doppler-broadened peaks from alpha-induced reactions with 7Li, 9Be, and 23Na to calculate neutron rates for both sources. A neutron/alpha production yield (derived in this work) was then related to the atomic concentration of these isotopes to find the approximate masses within each source. Ultimately, the AmLi source density was estimated with prompt gamma analysis based on partial source volumes as 0.45±0.08 g/cm^3.

DTRA, AmLi, neutron↗
DOE OSTI2020

A Drift‐Kinetic Method for Obtaining Gradients in Plasma Properties From Single‐Point Distribution Function Data

Abstract In this paper, we derive a new drift‐kinetic method for estimating gradients in the plasma properties through a velocity space distribution at a single point. The gradients are intrinsically related to agyrotropic features of the distribution function. This method predicts the gradients in the magnetized distribution function and can predict gradients of arbitrary moments of the gyrotropic background distribution function. The method allows for estimates on density and pressure gradients on the scale of a Larmor radius, proving to resolve smaller scales than any method currently available to spacecraft. The model is verified with a set of fully kinetic VPIC particle‐in‐cell simulations.

Wetherton, B. A.↗
DOE OSTI2026

Quantum-classical embedding via ghost Gutzwiller approximation for enhanced simulations of correlated electron systems

Simulating correlated materials on present-day quantum hardware remains challenging due to limited quantum resources. Quantum embedding methods offer a promising route by reducing computational complexity through the mapping of bulk systems onto effective impurity models, allowing more feasible simulations on pre- and early-fault-tolerant quantum devices. Here, this work develops a quantum-classical embedding framework based on the ghost Gutzwiller approximation to enable quantum-enhanced simulations of ground-state properties and spectral functions of correlated electron systems. Circuit complexity is analyzed using an adaptive variational quantum algorithm on a statevector simulator, applied to the infinite-dimensional Hubbard model with increasing ghost mode numbers from 3 to 5, resulting in circuit depths growing from 16 to 104. Noise effects are examined using a realistic error model, revealing significant impact on the spectral weight of the Hubbard bands. To mitigate these effects, the Iceberg quantum error detection code is employed, achieving up to 40% error reduction in simulations. Finally, the accuracy of the density matrix estimation and the derived spectral function is benchmarked on IBM and Quantinuum quantum hardware, featuring distinct qubit-connectivity and employing multiple levels of error mitigation techniques.

Chen, I-Chi [Ames Laboratory (AMES), Ames, IA (Uni↗
DOE OSTI2022

Octahedral oxide glass network in ambient pressure neodymium titanate

Abstract Rare-earth titanates form very fragile liquids that can be made into glasses with useful optical properties. We investigate the atomic structure of 83TiO 2 -17Nd 2 O 3 glass using pair distribution function (PDF) analysis of X-ray and neutron diffraction with double isotope substitutions for both Ti and Nd. Six total structure factors are analyzed (5 neutron + 1 X-ray) to obtain complementary sensitivities to O and Ti/Nd scattering, and an empirical potential structure refinement (EPSR) provides a structural model consistent with the experimental measurements. Glass density is estimated as 4.72(13) g cm −3 , consistent with direct measurements. The EPSR model indicates nearest neighbor interactions for Ti-O at $$\overline{r}_{TiO}$$ r ¯ TiO = 1.984(11) Å with coordination of $$n_{TiO}$$ n TiO = 5.72(6) and for Nd-O at $$\overline{r}_{NdO}$$ r ¯ NdO = 2.598(22) Å with coordination of $$n_{NdO}$$ n NdO = 7.70(26), in reasonable agreement with neutron first order difference functions for Ti and Nd. The titanate glass network comprises a mixture of distorted Ti-O 5 and Ti-O 6 polyhedra connected via 71% corner-sharing and 23% edge-sharing. The O-Ti coordination environments include 15% nonbridging O-Ti 1 , 51% bridging O-Ti 2 , and 32% tricluster O-Ti 3 . This structure is highly unusual for oxide glasses melt-quenched at ambient pressure, as it consists of Ti-O x predominantly in octahedral (with nearly no tetrahedral) coordination.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Floating zone crystal growth, structure, and properties of a cubic Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 garnet-type lithium-ion conductor

As a promising candidate for solid-state electrolytes in Li-ion batteries, the garnet-type Li-ion conductor series Li 5+x La 3 Nb 2-x Zr x O 12 (LLNZO) (0 ≤ x ≤ 2) exhibits high ionic conductivity at room temperature. However, no previous single-crystal growth or characterization has been reported for LLNZO compositions 0 ≤ x ≤ 1. To obtain a complete understanding of the trend in the structure–property relationship in this class of materials, we used the floating zone (FZ) method to grow a single crystal of Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 that was 4 mm in diameter and 10 mm in length. Using Laue neutron single-crystal diffraction, two distinct Li sites were observed: tetrahedral 24d and octahedral 96h sites. The maximum entropy method (MEM) based on neutron single-crystal diffraction data was used to map Li nuclear density and estimate that the bottleneck of Li transport exists between neighboring tetrahedral and octahedral sites, and that Li is delocalized between split octahedral sites. Room-temperature Li-ion conductivity in Li 5.5 La 3 Nb 1.5 Zr 0.5 O 12 measured with electrochemical impedance spectroscopy (EIS) was 1.37 × 10 -4 S cm -1 . The Li migration activation energy was estimated to be 0.50 eV from EIS and 0.47 eV from dielectric relaxation measurements. The Li-ion jump attempt rate was estimated to be 1.47 × 10 12 Hz while the time scale of successful migration is 10 -7 to 10 -6 s.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Probing jet base emission of M87* with the 2021 Event Horizon Telescope observations

We investigate the presence and spatial characteristics of the jet base emission in M87* at 230 GHz, enabled by the significantly enhanced (u,v) coverage in the 2021 Event Horizon Telescope (EHT) observations. The integration of the 12−m Kitt Peak Telescope (USA) and NOEMA (France) stations into the array introduces two critical intermediate-length baselines to SMT (USA) and IRAM 30−m (Spain), providing sensitivity to emission structures at spatial scales of ∼250 μas and ∼2500 μas (∼ 0.02 pc and ∼ 0.02 pc). Without these new baselines, previous EHT observations of the source in 2017 and 2018 lacked the capability to constrain emission on large scales, where a “missing flux” of order ∼1 Jy is expected to reside. To probe these scales, we analyzed closure phases–robust against station-based gain calibration errors–and model the jet base emission using a simple Gaussian component offset from the compact ring emission at spatial separations > 100 μas. Our analysis revealed a Gaussian feature centered at (ΔRA ≈ 320 μ as, ΔDec. ≈ 60 μ as), projected separation of ≈ 5500 AU, with an estimated flux density of only ∼60 mJy, implying that most of the missing flux identified in previous EHT studies had to originate from different, larger scales. Brighter emission at the relevant spatial scales is firmly ruled out, and the data do not favor more complex models. This component aligns with the inferred position of the large-scale jet and is therefore physically consistent with the emission of the jet base. While our findings point to detectable jet base emission at 230 GHz, the limited coverage provided by only two intermediate baselines limits our ability to robustly reconstruct its morphology. Consequently, we treated the recovered Gaussian as an upper limit on the jet base flux density. Future EHT observations with expanded intermediate baseline coverage will be essential to constrain the structure and nature of this component with higher precision.

accretion, accretion disks↗
DOE OSTI2023

Prediction of impact sensitivity, heat of formation and heat of explosion using atomic connectivity

In these proceedings we revisit a large collection of explosives and explosive descriptors with the goal of predicting impact sensitivity using only local atomic environments that can be deciphered from molecular SMILES strings as descriptors without utilizing empirically measured values or computationally expensive electronic structure calculations. From the original database of nearly 500 descriptors, removing empirically measured and electronic structure values decreased the number of descriptors to 135, which we reduced to 18 the most important descriptors using Random Forests. The condensed model predicted impact sensitivity with essentially the same accuracy as the existing, more complex model (R 2 = 0.788 and RSME = 0.312), while remaining applicable to all types of explosives (Peroxides, azides, C-Nitros, Nitroamines, Nitrate Esters, etc.). In addition to impact sensitivity, we proposed similar models to accurately predict values heat of formation (ΔH f ) and heat of explosion (Q), with R 2 = 0.966 and 0.916, respectively. In conclusion, the work in these proceedings allows for prediction of explosive performance and sensitivity with only chemical structure information and an estimate of density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

An implementation of neural simulation-based inference for parameter estimation in ATLAS

Neural simulation-based inference (NSBI) is a powerful class of machine-learning-based methods for statistical inference that naturally handles high-dimensional parameter estimation without the need to bin data into low-dimensional summary histograms. Such methods are promising for a range of measurements, including at the Large Hadron Collider, where no single observable may be optimal to scan over the entire theoretical phase space under consideration, or where binning data into histograms could result in a loss of sensitivity. This work develops a NSBI framework for statistical inference, using neural networks to estimate probability density ratios, which enables the application to a full-scale analysis. It incorporates a large number of systematic uncertainties, quantifies the uncertainty due to the finite number of events in training samples, develops a method to construct confidence intervals, and demonstrates a series of intermediate diagnostic checks that can be performed to validate the robustness of the method. As an example, the power and feasibility of the method are assessed on simulated data for a simplified version of an off-shell Higgs boson couplings measurement in the four-lepton final states. This approach represents an extension to the standard statistical methodology used by the experiments at the Large Hadron Collider, and can benefit many physics analyses.

frequentist statistics↗
DOE OSTI2020

i- flow: High-dimensional integration and sampling with normalizing flows

In many fields of science, high-dimensional integration is required. Numerical methods have been developed to evaluate these complex integrals. We introduce the code i-flow, a python package that performs high-dimensional numerical integration utilizing normalizing flows. Normalizing flows are machine-learned, bijective mappings between two distributions. i-flow can also be used to sample random points according to complicated distributions in high dimensions. We compare i-flow to other algorithms for high-dimensional numerical integration and show that i-flow outperforms them for high dimensional correlated integrals. The i-flow code is publicly available on gitlab at https://gitlab.com/i-flow/i-flow.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Discovery and characterization of five new eclipsing AM CVn systems

ABSTRACT AM CVn systems are ultra-compact, hydrogen-depleted, and helium-rich, accreting binaries with degenerate or semidegenerate donors. We report the discovery of five new eclipsing AM CVn systems with orbital periods of 61.5, 55.5, 53.3, 37.4, and 35.4 min. These systems were discovered by searching for deep eclipses in the Zwicky Transient Facility (ZTF) light curves of white dwarfs selected using Gaia parallaxes. We obtained phase-resolved spectroscopy to confirm that all systems are AM CVn binaries, and we obtained high-speed photometry to confirm the eclipse and characterize the systems. The spectra show double-peaked H e lines but also show metals, including K and Zn, elements that have never been detected in AM CVn systems before. By modelling the high-speed photometry, we measured the mass and radius of the donor star, potentially constraining the evolutionary channel that formed these AM CVn systems. We determined that the average mass of the accreting white dwarf is ≈0.8 M⊙, and that the white dwarfs in long-period systems are hotter than predicted by recently updated theoretical models. The donors have a high entropy and are a factor of ≈2 more massive compared to zero-entropy donors at the same orbital period. The large donor radius is most consistent with H e-star progenitors, although the observed spectral features seem to contradict this. The discovery of five new eclipsing AM CVn systems is consistent with the known observed AM CVn space density and estimated ZTF recovery efficiency.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Baryon acoustic oscillations in the projected cross-correlation function between the eBOSS DR16 quasars and photometric galaxies from the DESI Legacy Imaging Surveys

ABSTRACT We search for the baryon acoustic oscillations in the projected cross-correlation function binned into transverse comoving radius between the SDSS-IV DR16 eBOSS quasars and a dense photometric sample of galaxies selected from the DESI Legacy Imaging Surveys. We estimate the density of the photometric sample of galaxies in this redshift range to be about 2900 deg−2, which is deeper than the official DESI emission line galaxy selection, and the density of the spectroscopic sample is about 20 deg−2. In order to mitigate the systematics related to the use of different imaging surveys close to the detection limit, we use a neural network approach that accounts for complex dependences between the imaging attributes and the observed galaxy density. We find that we are limited by the depth of the imaging surveys that affects the density and purity of the photometric sample and its overlap in redshift with the quasar sample, which thus affects the performance of the method. When cross-correlating the photometric galaxies with quasars in the range 0.6 ≤ z ≤ 1.2, the cross-correlation function can provide better constraints on the comoving angular distance DM (6 per cent precision) compared to the constraint on the spherically averaged distance DV (9 per cent precision) obtained from the autocorrelation. Although not yet competitive, this technique will benefit from the arrival of deeper photometric data from upcoming surveys that will enable it to go beyond the current limitations we have identified in this work.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Critical assessment of the recent report on the gigaparsec-scale correlation of the orientations of large quasar groups

ABSTRACT Recently, it was reported that large quasar groups (LQGs) identified from the Sloan Digital Sky Survey (SDSS) data release seven catalogue are not randomly oriented but preferentially aligned or orthogonal over scales 1–2 Gpc. To confirm this claim, I reproduced the same LQG sample and performed Sobolev tests of uniformity on the LQG orientation axes in the redshift space. Contrary to the original report based on the bimodal distribution of the LQG position angles in the sky, I found no departure from uniformity in the distribution of the LQG orientation axes. I also examined whether the LQGs are physical structures using a statistically more reliable data set constructed from the SDSS data release 16 (DR16) large-scale structure (LSS) quasar catalogue. Considering the Gaussian primordial density fluctuations and shot noise, I estimated the mass density contrasts of the LQGs from the number counts of the DR16 LSS quasars and found that most of the LQGs do not trace statistically significant high-density regions. I conclude that the LQG sample is a collection of unphysical chance associations and should not be used for any cosmological studies.

Fujii, Hirokazu (ORCID:0000000161473512)↗
DOE OSTI2025

Universality of Rényi Entropy in Conformal Field Theory

We use the thermal effective theory to prove that, for the vacuum state in any conformal field theory in 𝑑 dimensions, the 𝑛th Rényi entropy 𝑆$^{(𝑛)}_{𝐴}$ behaves as 𝑆$^{(𝑛)}_{𝐴}$ = [𝑓⁡/(2⁢𝜋⁢𝑛) 𝑑−1 ]⁢[Area⁡(∂𝐴)/(𝑑−2)⁢𝜀 𝑑−2 ]⁢(1+𝑂⁡(𝑛)) in the 𝑛 → 0 limit when the boundary of the entanglement domain 𝐴 is spherical with the UV cutoff 𝜀. The theory dependence is encapsulated in the cosmological constant 𝑓 in the thermal effective action. Using this result, we estimate the density of states for large eigenvalues of the modular Hamiltonian for the domain 𝐴. In two dimensions, we can use the hot spot idea, which describes the effective action in the high-temperature limit when the temperature is position-dependent, to derive more powerful formulas valid for arbitrary positive 𝑛. We discuss the difference between two and higher dimensions and clarify the applicability of the hot spot idea. We also use the thermal effective theory to derive an analog of the Cardy formula for boundary operators in higher dimensions.

Conformal field theory↗
DOE OSTI2023

Quasiparticle Spectroscopy, Transport, and Magnetic Properties of Nb Films Used in Superconducting Qubits

Niobium thin films on silicon substrate used in the fabrication of superconducting qubits have been characterized using scanning and transmission electron microscopy, electrical transport, magnetization, the London penetration depth - based quasiparticle spectroscopy, and real-space real-time magneto-optical imaging. Here we study niobium films to provide an example of a comprehensive analytical set that may benefit superconducting circuits such as those used in quantum computers. The films have a superconducting transition temperature of T c = 9.35 K and a fairly clean superconducting gap. The estimated superfluid density is enhanced at intermediate temperatures. These observations are consistent with the recent theory of anisotropic strong-coupling superconductivity in Nb and indicate outstanding quality. However, the response to the magnetic field is complicated, exhibiting significantly irreversible behavior and insufficient heat dissipation (to a substrate), leading to thermomagnetic instabilities. This may present a challenge for further improvement of transmon quantum coherence. Possible mitigation strategies are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Mixed-State Entanglement from Local Randomized Measurements

In this work, we propose a method for detecting bipartite entanglement in a many-body mixed state based on estimating moments of the partially transposed density matrix. The estimates are obtained by performing local random measurements on the state, followed by postprocessing using the classical shadows framework. Our method can be applied to any quantum system with single-qubit control. We provide a detailed analysis of the required number of experimental runs, and demonstrate the protocol using existing experimental data [Brydges et al., Science 364, 260 (2019)].

1-dimensional spin chains↗
DOE OSTI2026

Spray-Coated Silver as Backside Metal for III–V Photovoltaic Devices on GaAs and Ge Substrates

The accelerated increase in demand for III-V space photovoltaics on GaAs and Ge substrates, as well as growing interests in terrestrial applications, motivate the development of cost-effective, high-throughput processing routes of these materials. Here, in this study, we assess spray-coated silver (Ag) back contact metallization as a substitute for electron-beam-evaporated metals currently used in industry. We find that the spray-coated Ag films are dense and continuous. By means of quantum efficiency, dark current-voltage, and illuminated current-voltage characterizations, we show that spray-coated GaAs and Ge solar cells perform similarly to baseline devices with electroplated Au, including under high current densities. We estimate that the thresholds for specific contact resistance below which back contacts do not significantly contribute to resistive loss are 2.1 x 10 -1 Ω•cm 2 for GaAs and 4.7 x 10 -2 Ω•cm 2 for Ge. We experimentally confirm that our spray-coated samples meet these requirements. Peel tests show that the adhesion of plain spray-coated Ag films to the back of p-type Ge substrates used in III-V solar cells is currently insufficient, whereas adhesion to p-type GaAs substrates is outstanding and requires no further optimization.

14 SOLAR ENERGY↗
DOE OSTI2020

A genoscape–network model for conservation prioritization in a migratory bird

Migratory animals are declining worldwide and coordinated conservation efforts are needed to reverse current trends. We devised a novel genoscape-network model that combines genetic analyses with species distribution modeling and demographic data to overcome challenges with conceptualizing alternative risk factors in migratory species across their full annual cycle. We applied our method to the long distance, Neotropical migratory bird, Wilson's Warbler (Cardellina pusilla). Despite a lack of data from some wintering locations, we demonstrated how the results can be used to help prioritize conservation of breeding and wintering areas. For example, we showed that when genetic, demographic, and network modeling results were considered together it became clear that conservation recommendations will differ depending on whether the goal is to preserve unique genetic lineages or the largest number of birds per unit area. More specifically, if preservation of genetic lineages is the goal, then limited resources should be focused on preserving habitat in the California Sierra, Basin Rockies, or Coastal California, where the 3 most vulnerable genetic lineages breed, or in western Mexico, where 2 of the 3 most vulnerable lineages overwinter. Alternatively, if preservation of the largest number of individuals per unit area is the goal, then limited conservation dollars should be placed in the Pacific Northwest or Central America, where densities are estimated to be the highest. Overall, our results demonstrated the utility of adopting a genetically based network model for integrating multiple types of data across vast geographic scales and better inform conservation decision-making for migratory animals.

60 APPLIED LIFE SCIENCES↗