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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

FRAM, Version 6.1 User Manual

This manual describes the use of version 6.1 of the FRAM gamma-ray isotopic analysis software developed in the Safeguards Science and Technology Group, NEN-1, Nuclear Engineering & Nonproliferation Division, Los Alamos National Laboratory. The software analyzes the gamma ray spectrum from plutonium-bearing items and determines the isotopic distribution of the plutonium, 241Am content, and concentration of other isotopes in the item. The software can also determine the isotopic distribution of uranium isotopes in items containing only uranium. The body of this manual describes the generic version of the code.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Enrichment Meter Dataset from High-Resolution Gamma Spectroscopy Measurements of U3O8 Enrichment Standards and UF6 Cylinder Wall Equivalents

The Enrichment Meter Principle (EMP) is the basis for a commonly used standard test method for the non-destructive assay of 235 U enrichment in bulk compounds [1]. The technique involves determining the net count rate in the direct 186 keV peak using medium or high energy gamma-ray spectrometry in a fixed geometry. With suitable correction for wall attenuation, compound type, rate loss (live time), and peaked background (if significant), the atom fraction of 235 U may be obtained from the counting rate from a linear relationship through the origin. The widespread use of this method for field verification of enrichment [2,3] together with the fact that the response function rests on fundamental physics considerations (i.e., is not represented by a convenient but arbitrary form) makes it an interesting example of uncertainty quantification, one in which one can expect a valid measurement model can be applied. When applied using NaI(Tl) and region of interest analysis, the technique is susceptible to both interference error and bias [2-4]. When implemented using high-resolution gamma-ray spectroscopy, the spectrum interpretation is considerable simplified and more robust [5]. However, a practical challenge to studying the uncertainty budget of the EMP method (for example, to test linearity, extract wall corrections and so forth using modern methods) is the availability of quality experimental data that can be referenced and shared. To fill this gap, the research team undertook an experimental campaign [6]. A measurement campaign was conducted to produce high-resolution gamma spectroscopy enrichment meter data comparable to UF 6 cylinder measurements. The purpose of this report is to provide both an introduction to and quality assurance (QA) of the raw data produced. This report is intended for the analyst or researcher who uses the raw data. Unfortunately, the raw data (i.e., the spectra files) are too voluminous to include in this report but can be requested from Steven Croft of the Safeguards & Security Technology Group (scroft@ornl.gov 865-241-2834). The complete processed data are tabulated in Appendix A. The analysis techniques used to produce the QA data presented in this report [e.g., three regions-ofinterest (ROI) peak extraction and batch analysis processes] are not the most sophisticated techniques available; analysts are encouraged to reanalyze the raw data using more sensitive techniques and to improve upon the results presented here. With that being said, the analysis techniques used here are more than adequate to present and inspect the quality of the data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Origin of electrons emitted into vacuum from InGaN light emitting diodes

The mechanism responsible for efficiency droop in InGaN light-emitting diodes (LEDs) has long been elusive due to indirect measurement techniques used for its identification. Auger recombination is unique among proposed efficiency droop mechanisms, in that it is the only mechanism capable of generating hot carriers. In a previous study [J. Iveland et al., Phys. Rev. Lett. 110, 177406 (2013)], we performed electron energy analysis of electrons emitted into vacuum from a forward biased InGaN LED that had been brought into negative electron affinity by cesiation. Three peaks were observed in the energy spectrum of vacuum emitted electrons. In this Letter, we unambiguously identify the origin of the peaks. The two higher energy peaks correspond to accumulation of electrons transported to the surface in the bulk Γ and side L conduction band valleys. The L-valley peak is a direct signature of a hot Auger electron population. The lower energy peak results from surface photoemission induced by the internal LED light emitted from the InGaN quantum wells. Two control experiments were performed. In the first, a simple GaN pn junction generated only a single Γ peak in electroemission. In the second, selective detection of the photoemission from an LED under modulated light excitation and DC electrical injection confirms that only the low energy peak is photogenerated and that LED light is incapable of generating Γ or L-valley peaks, the latter only occurring due to the Auger effect in the LED active region.

42 ENGINEERING↗
DOE OSTI2021

Search for dark matter produced in association with a Standard Model Higgs boson decaying into b -quarks using the full Run 2 dataset from the ATLAS detector

The production of dark matter in association with Higgs bosons is predicted in several extensions of the Standard Model. An exploration of such scenarios is presented, considering final states with missing transverse momentum and b-tagged jets consistent with a Higgs boson. The analysis uses proton-proton collision data at a centre-of-mass energy of 13 TeV recorded by the ATLAS experiment at the LHC during Run 2, amounting to an integrated luminosity of 139 fb -1 . The analysis, when compared with previous searches, benefits from a larger dataset, but also has further improvements providing sensitivity to a wider spectrum of signal scenarios. These improvements include both an optimised event selection and advances in the object identification, such as the use of the likelihood-based significance of the missing transverse momentum and variable-radius track-jets. No significant deviation from Standard Model expectations is observed. Limits are set, at 95% confidence level, in two benchmark models with two Higgs doublets extended by either a heavy vector boson Z' or a pseudoscalar singlet a and which both provide a dark matter candidate χ. In the case of the two-Higgs-doublet model with an additional vector boson Z', the observed limits extend up to a Z' mass of 3 TeV for a mass of 100 GeV for the dark matter candidate. The two-Higgs-doublet model with a dark matter particle mass of 10 GeV and an additional pseudoscalar a is excluded for masses of the a up to 520 GeV and 240 GeV for tan β = 1 and tan β = 10 respectively. Limits on the visible cross-sections are set and range from to 0.05 fb to 3.26 fb, depending on the missing transverse momentum and b-quark jet multiplicity requirements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Analysis of the neutron time-of-flight spectra from inertial confinement fusion experiments

Neutron time-of-flight diagnostics have long been used to characterize the neutron spectrum produced by inertial confinement fusion experiments. The primary diagnostic goals are to extract the d + t → n + α (DT) and d + d → n + {sup 3}He (DD) neutron yields and peak widths, and the amount DT scattering relative to its unscattered yield, also known as the down-scatter ratio (DSR). These quantities are used to infer yield weighted plasma conditions, such as ion temperature (T{sub ion}) and cold fuel areal density. We report on novel methodologies used to determine neutron yield, apparent T{sub ion}, and DSR. These methods invoke a single temperature, static fluid model to describe the neutron peaks from DD and DT reactions and a spline description of the DT spectrum to determine the DSR. Both measurements are performed using a forward modeling technique that includes corrections for line-of-sight attenuation and impulse response of the detection system. These methods produce typical uncertainties for DT T{sub ion} of 250 eV, 7% for DSR, and 9% for the DT neutron yield. For the DD values, the uncertainties are 290 eV for T{sub ion} and 10% for the neutron yield.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

First-principles studies of the atomic, elastic and vibrational properties of BaNbO{sub 3}

We have employed the ab initio pseudopotential method, within a generalized gradient approximation of the density functional theory, a linear response approach, to determine atomic, elastic and lattice dynamical properties of the BaNbO{sub 3}. The obtained structural and elastic parameter are in good agreement with previous experimental and theoretical results. The analysis of B/G ratio indicates that BaNbO{sub 3} is a ductile material. The calculated lattice dynamical properties compared with phonon spectrum of the similar structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Decoding the spectroscopic features and time scales of aqueous proton defects

Acid solutions demonstrate a variety of complex structural and dynamical features arising from the presence of multiple interacting reactive proton defects and counterions. Yet, disentangling the transient structural motifs of proton defects in the water hydrogen bond network and the mechanisms for their interconversion remains a formidable challenge. In this work, we use simulations treating the quantum nature of both the electrons and nuclei to show how the experimentally observed spectroscopic features and relaxation time scales can be elucidated using a physically transparent coordinate that encodes the overall asymmetry of the solvation environment of the proton defect. We demonstrate that this coordinate can be used both to discriminate the extremities of the features observed in the linear vibrational spectrum and to explain the molecular motions that give rise to the interconversion time scales observed in recent nonlinear experiments. This analysis provides a unified condensed-phase picture of the proton structure and dynamics that, at its extrema, encompasses proton sharing and spectroscopic features resembling the limiting Eigen [H 3 O(H 2 O) 3 ]+ and Zundel [H(H 2 O) 2 ]+ gas-phase structures, while also describing the rich variety of interconverting environments in the liquid phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Investigating the relationship between noise transfer inside the x-ray framing cameras and their imaging ability

We apply a cascaded linear model analysis to a micro-channel plate x-ray framing camera. We establish a theoretical expression of the Noise Power Spectrum (NPS) at the detector’s output and assess its accuracy by comparing it to the NPS of Monte Carlo simulations of the detector’s response to a uniform illumination. We also reflect that fitting the NPS of experimental data against a parametric model based on this expression can yield valuable information on the imaging ability of framing cameras, offering an alternative method to the usual avenue employed to measure their modulation transfer functions.

25 ENERGY STORAGE↗
DOE OSTI2023

Fingerprints of hydrogen bonding in the terahertz dynamics of ethanol and water: An inelastic x-ray scattering study

Here, we used inelastic x-ray scattering methods to measure the terahertz spectrum of density fluctuations of ethanol in both liquid and solid phases. The results of a Bayesian inference-based lineshape analysis with a multiple excitation model and the comparison with a previous similar analysis on water indicate that the different structures induced by hydrogen bonds in ethanol and water have a profound influence on the respective dynamic responses, the latter being characterized by longer living and better resolved high-frequency acoustic excitations. In addition, we compare these findings with those obtained with an alternative approach based on the exponential expansion theory and ensuring sum rules fulfillment, demonstrating that the model’s choice directly impacts the number of spectral modes detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Coordinated time variability of multi-phase ultra-fast outflows in J132216.25 + 052446.3

ABSTRACT We present a time variability analysis of broad absorption lines (BAL; spread over the velocity range of 5800–29 000 km s−1) seen in the spectrum of J132216.25 + 052446.3 (zem = 2.04806) at ten different epochs spanning over 19 yr. The strongest absorption component (BAL-A; spread over 5800–9900 km s−1) is made up of several narrow components having velocity separations close to C iv doublet splitting. The C iv, N v, and Si iv absorption from BAL-A show correlated optical depth variability without major changes in the velocity structure. A very broad and shallow absorption (BAL-C; spread over the velocity range 15 000–29 000 km s−1) emerged during our monitoring period coinciding with a dimming episode of J1322 + 0524. All the identified absorption lines show correlated variability with the equivalent widths increasing with decreasing flux. This together with the C iv emission line variability is consistent with ionization being the main driver of the correlated variability. The observed UV-continuum variations are weaker than what is required by the photoionization models. This together with a scatter in the C iv equivalent width at a given continuum flux can be understood if variations of the C iv ionizing photons are much larger than that of the UV continuum, the variations in the ionizing photon and UV fluxes are not correlated and/or the covering factor of the flow varies continuously. We suggest BAL-A is produced by a stable clumpy outflow located beyond the broad emission line region and BAL-C is a newly formed wind component located near the accretion disc and both respond to changes in the ionizing continuum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Analysis of First-Order Gratings in Silicon Photonic Waveguides

A simple thin film effective index analysis for first order gratings in Si photonic waveguides is shown to provide highly accurate results for reflected and transmitted power spectrums as long as the waveguide remains single mode and non-radiating. A cover layer can be added to the grating region of a Si photonic waveguide to increase the strength of the grating, modify transition losses from the input waveguide to the grating waveguide region, and/or modify the width of the reflectivity spectrum. For a given grating period, the peak reflection and spectral width of the reflectivity decrease as the duty cycle is decreased or increased from ~50%. For both radiating and multimode structures, the coupling between all modes, power radiated towards the superstrate (upwards), power radiated downwards (substrate) and transmitted power analyzed by Floquet-Bloch, Eigenmode Expansion and Finite Difference Time Domain methods show excellent agreement. Coupling coefficients calculated using analytic formulas are shown to be accurate only for shallow grating depths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Ultrabroadband infrared near-field spectroscopy and imaging of local resonators in percolative gold films

Percolation processes are ubiquitous in nature and are responsible for many critical phenomena such as first-order phase transitions and infectious epidemic networks. The optical properties of a percolative medium can generally be captured by the effective medium approximation (EMA) when the degree of percolation and the properties of the constituent materials are properly addressed. However, the important local collective responses of nanoclusters in the deep subwavelength regime are often only phenomenologically addressed in the standard EMA formalism. Additionally, a comprehensive method that measures local light–matter interactions and registers how the local responses influence global optical properties has yet to be established on a firm basis. In this paper, we use infrared nanoimaging/spectroscopy to investigate percolative gold films in the vicinity of the critical percolation threshold. We demonstrate experimentally and theoretically that the near-field spectra yield quantitative information of the characteristic length scale of the local gold clusters and their relative oscillator strengths. As a result, EMA analysis can be augmented with near-field nano-spectroscopy to yield better predictability of the far-field reflection spectrum at the corresponding spectral range.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine learning enhanced characterization and optimization of photonic cured MAPbI 3 for efficient perovskite solar cells

Photonic curing (PC) can facilitate high-speed perovskite solar cell (PSC) manufacturing because it uses high-intensity light pulses to crystallize perovskite films in milliseconds. However, optimizing PC conditions is challenging due to its many variables, and using power conversion efficiency (PCE) as the optimization metric is both time-consuming and labor-intensive. This work presents a machine learning (ML) approach to optimize PC conditions for fabricating methylammonium lead iodide (MAPbI 3 ) films by quantitatively comparing their ultraviolet-visible (UV-vis) absorbance spectra to thermal annealed (TA) films using four similarity metrics. We perform Bayesian optimization coupled with Gaussian process regression (BO-GP) to minimize the similarity metrics. Refining PC conditions using active learning based on BO-GP models, we achieve a PC MAPbI3 film with an absorbance spectrum closely matching a TA reference film, which is further verified by its crystalline and morphological properties. Thus, we demonstrate that the UV-vis absorption spectrum can accurately proxy film quality. Additionally, we use an AI-based segmentation model for a more efficient grain size analysis. However, when we use the optimized PC condition to fabricate PSCs, we find that interaction between MAPbI 3 and the hole transport layer (HTL) during PC critically degrades the PSC performance. By adding a buffer layer between the HTL and MAPbI 3 , the optimized PC PSCs produce a champion PCE of 11.8%, comparable to the TA reference of 11.7%. Using UV-vis similarity metrics instead of device PCE as the objective in our BO-GP method accelerates the optimization of PC processing conditions for MAPbI 3 films.

14 SOLAR ENERGY↗
DOE OSTI2017

Exploring the Application of Shared Ledger Technology to Safeguards and other National Security Topics

In 2016, the Office of International Nuclear Safeguards at the National Nuclear Security Administration (NNSA) within the Department of Energy (DOE) commissioned the Pacific Northwest National Laboratory (PNNL) to explore the potential implications of the digital currency bitcoin and its underlying technologies on the safeguards system. The authors found that one category of technologies referred to as Shared Ledger Technology (SLT) offers a spectrum of benefits to the safeguards system. While further research is needed to validate assumptions and findings in the paper, preliminary analysis suggests that both the International Atomic Energy Agency (IAEA) and Member States can use SLT to promote efficient, effective, accurate, and timely reporting, and increase transparency in the safeguards system without sacrificing confidentiality of safeguards data. This increased transparency and involvement of Member States in certain safeguards transactions could lead to increased trust and cooperation among States and the public, which generates a number of benefits. This paper describes these benefits and the analytical framework for assessing SLT applications for specific safeguards problems. The paper will also describe other national security areas where SLT could provide benefits.

arms control↗
DOE OSTI2018

Damping Off Terahertz Sound Modes of a Liquid upon Immersion of Nanoparticles

Here, the control of phonon propagation in nanoparticle arrays is one of the frontiers of nanotechnology, potentially enabling the discovery of materials with unknown functionalities for potential innovative applications. The exploration of the terahertz window appears quite promising as phonons in this range are the leading carriers of heat transport in insulators and their control is the key to implement devices for heat flow management. Unfortunately, this scientific field is still in its infancy, and even a basic topic such as the influence of floating nanoparticles on the terahertz phonon propagation of a colloidal suspension still eludes a firm answer. Shedding some light on this topic is the main motivation of the present work, which focuses an inelastic X-ray scattering (IXS) measurements on a dilute suspension of Au nanospheres in water. Measured spectra showed a nontrivial shape displaying multiple inelastic features that, based on a Bayesian inference analysis, we assign to phonon modes propagating throughout the nanoparticle interior. Surprisingly, the spectra bear no evidence of propagating modes, which are known to dominate the spectrum of pure water, owing to the scattering that these modes suffer from the sparse nanoparticles in suspension. In perspective, this finding may inspire simple routes to manipulate high-frequency acoustic propagation in hybrid—liquid and solid—materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

In Situ Characterization of Boehmite Particles in Water Using Liquid SEM

In situ imaging and elemental analysis of boehmite (AlOOH) particles in water is realized using the System for Analysis at the Liquid Vacuum Interface (SALVI) and Scanning Electron Microscopy (SEM). This paper describes the method and key steps in integrating the vacuum compatible SAVLI to SEM and obtaining secondary electron (SE) images of particles in liquid in high vacuum. Energy dispersive x-ray spectroscopy (EDX) is used to obtain elemental analysis of particles in liquid. A synthesized AlOOH particle is used as a model in the liquid SEM illustration. Our results demonstrate that particles can be imaged in the SE mode with good resolution. The AlOOH EDX spectrum shows significant signal from the Al compared with deionized water and the empty channel control. In situ liquid SEM is a powerful technique to study particles in liquid with many exciting applications. This procedure aims to provide technical details in how to conduct liquid SEM imaging and EDX analysis using SALVI and reduce potential pitfalls using this approach for other researchers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Optimized dark matter searches in deep observations of Segue 1 with MAGIC

We present the results of stereoscopic observations of the satellite galaxy Segue 1 with the MAGIC Telescopes, carried out between 2011 and 2013. With almost 160 hours of good-quality data, this is the deepest observational campaign on any dwarf galaxy performed so far in the very high energy range of the electromagnetic spectrum. We search this large data sample for signals of dark matter particles in the mass range between 100 GeV and 20 TeV. For this we use the full likelihood analysis method, which provides optimal sensitivity to characteristic gamma-ray spectral features, like those expected from dark matter annihilation or decay. In particular, we focus our search on gamma-rays produced from different final state Standard Model particles, annihilation with internal bremsstrahlung, monochromatic lines and box-shaped signals. Our results represent the most stringent constraints to the annihilation cross-section or decay lifetime obtained from observations of satellite galaxies, for masses above few hundred GeV. In particular, our strongest limit (95% confidence level) corresponds to a ∼500 GeV dark matter particle annihilating into τ{sup +}τ{sup −}, and is of order <σ{sub ann}v>≃ 1.2×10{sup −24} cm{sup 3} s{sup −1} — a factor ∼40 above the <σ{sub ann}v>≃ thermal value.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

FUSE Spectroscopy of the Accreting Hot Components in Symbiotic Variables

We have conducted a spectroscopic analysis of the far-ultraviolet archival spectra of four symbiotic variables, EG And, AE Ara, CQ Dra, and RW Hya. RW Hya and EG And have never had a recorded outburst, while CQ Dra and AE Ara have outburst histories. We analyze these systems while they are in quiescence in order to help reveal the physical properties of their hot components via comparisons of the observations with optically thick accretion disk models and non-LTE model white dwarf photospheres. We have extended the wavelength coverage down to the Lyman limit with Far Ultraviolet Spectroscopic Explorer (FUSE) spectra. We find that the hot component in RW Hya is a low-mass white dwarf with a surface temperature of 160,000 K. We reexamine whether or not the symbiotic system CQ Dra is a triple system with a red giant transferring matter to a hot component made up of a cataclysmic variable in which the white dwarf has a surface temperature as low as ~20,000 K. The very small size of the hot component contributing to the shortest wavelengths of the FUSE spectrum of CQ Dra agrees with an optically thick and geometrically thin (~4% of the WD surface) hot (~120,000 K) boundary layer. Our analysis of EG And reveals that its hot component is a hot, bare, low-mass white dwarf with a surface temperature of 80,000–95,000 K, with a surface gravity log(g)=7.5. For AE Ara, we also find that a low-gravity (log(g)~6), hot (T~130,000 K) WD accounts for the hot component.

79 ASTRONOMY AND ASTROPHYSICS↗