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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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NASA NTRS2003

Chandra Phase-Resolved X-Ray Spectroscopy of the Crab Pulsar

We present here the first phase-resolved study of the X-ray spectral properties of the Crab Pulsar that covers all pulse phases. The superb angular resolution of the Chandra X-ray Observatory enables distinguishing the pulsar from the surrounding nebulosity, even at pulse minimum. Analysis of the pulse-averaged spectrum measures interstellar photoelectric absorption and scattering by dust grains in the direction of the Crab Nebula. Analysis of the spectrum as a function of pulse phase measures the low-energy X-ray spectral index even at pulse minimum - albeit with large statistical uncertainty. The data are used to set a new upper limit to any thermal component.

Weisskopf, Martin C.↗

NASA NTRS1988

Spectral class distribution of circumstellar material in main-sequence stars

A detailed statistical evaluation of IRAS survey data of main-sequence stars within 25 pc indicates that the presence of cool shells around A, F, and G main-sequence stars is the rule, rather than the exception. While luminosity bias favors A and F stars, the typical G star still appears to have almost three orders of magnitude more excess than the excess of the solar system due to known zodiacal dust and all planets combined. The Vega effect is thus not restricted to stars of particularly young age. The finding that the 'archetypical' solar system appears to have much less far-IR excess than the majority of G stars supports a speculation that the sun could have a cloud of cold particles beyond the outer planets, undetected by IRAS viewing from earth.

Aumann, H. H.↗

NASA NTRS1975

Computer-aided analysis of Landsat-1 MSS data - A comparison of three approaches, including a 'modified clustering' approach

Three approaches for analyzing Landsat-1 data from Ludwig Mountain in the San Juan Mountain range in Colorado are considered. In the 'supervised' approach the analyst selects areas of known spectral cover types and specifies these to the computer as training fields. Statistics are obtained for each cover type category and the data are classified. Such classifications are called 'supervised' because the analyst has defined specific areas of known cover types. The second approach uses a clustering algorithm which divides the entire training area into a number of spectrally distinct classes. Because the analyst need not define particular portions of the data for use but has only to specify the number of spectral classes into which the data is to be divided, this classification is called 'nonsupervised'. A hybrid method which selects training areas of known cover type but then uses the clustering algorithm to refine the data into a number of unimodal spectral classes is called the 'modified-supervised' approach.

Fleming, M. D.↗

DOE OSTI2025

Exact spectral gaps of random one-dimensional quantum circuits

The spectral gap of local random quantum circuits is a fundamental property that determines how close the moments of the circuit's unitaries match those of a Haar random distribution. When studying spectral gaps, it is common to bound these quantities using tools from statistical mechanics or via quantum information-based inequalities. Here, by focusing on the second moment of one-dimensional unitary circuits where nearest-neighboring gates act on sets of qudits (with open and closed boundary conditions), we show that one can exactly compute the associated spectral gaps. Indeed, having access to their functional form allows us to prove several important results, such as the fact that the spectral gap for closed boundary condition is exactly the square of the gap for open boundaries, as well as improve on previously known bounds for approximate design convergence. Finally, we verify our theoretical results by numerically computing the spectral gap for systems of up to 70 qubits, as well as comparing them to gaps of random orthogonal and symplectic circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2009

Identifying Galactic Cosmic Ray Origins With Super-TIGER

Super-TIGER (Super Trans-Iron Galactic Element Recorder) is a new long-duration balloon-borne instrument designed to test and clarify an emerging model of cosmic-ray origins and models for atomic processes by which nuclei are selected for acceleration. A sensitive test of the origin of cosmic rays is the measurement of ultra heavy elemental abundances (Z > or equal 30). Super-TIGER is a large-area (5 sq m) instrument designed to measure the elements in the interval 30 < or equal Z < or equal 42 with individual-element resolution and high statistical precision, and make exploratory measurements through Z = 60. It will also measure with high statistical accuracy the energy spectra of the more abundant elements in the interval 14 < or equal Z < or equal 30 at energies 0.8 < or equal E < or equal 10 GeV/nucleon. These spectra will give a sensitive test of the hypothesis that microquasars or other sources could superpose spectral features on the otherwise smooth energy spectra previously measured with less statistical accuracy. Super-TIGER builds on the heritage of the smaller TIGER, which produced the first well-resolved measurements of elemental abundances of the elements Ga-31, Ge-32, and Se-34. We present the Super-TIGER design, schedule, and progress to date, and discuss the relevance of UH measurements to cosmic-ray origins.

deNolfo, Georgia↗

DOE OSTI2024

Searching for beyond the Standard Model physics using the improved description of 100 Mo $2\nu \beta \beta$ decay spectral shape with CUPID-Mo

The current experiments searching for neutrinoless double-β ($0\nu \beta \beta$) decay also collect large statistics of Standard Model allowed two-neutrino double-β ($2\nu \beta \beta$ ) decay events. These can be used to search for Beyond Standard Model (BSM) physics via $2\nu \beta \beta$ decay spectral distortions. 100 Mo has a natural advantage due to its relatively short half-life, allowing higher $2\nu \beta \beta$ decay statistics at equal exposures compared to the other isotopes. We demonstrate the potential of the dual read-out bolometric technique exploiting a 100 Mo exposure of 1.47 kg years, acquired in the CUPID-Mo experiment at the Modane underground laboratory (France). We set limits on $0\nu \beta \beta$ decays with the emission of one or more Majorons, on $2\nu \beta \beta$ decay with Lorentz violation, and $2\nu \beta \beta$ decay with a sterile neutrino emission. In this analysis, we investigate the systematic uncertainty induced by modeling the $2\nu \beta \beta$ decay spectral shape parameterized through an improved model, an effect never considered before. This work motivates searches for BSM processes in the upcoming CUPID experiment, which will collect the largest amount of $2\nu \beta \beta$ decay events among the next-generation experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2016

Searching for the 3.5 keV Line in the Stacked Suzaku Observations of Galaxy Clusters

We perform a detailed study of the stacked Suzaku observations of 47 galaxy clusters, spanning a redshift range of 0.01-0.45, to search for the unidentified 3.5 keV line. This sample provides an independent test for the previously detected line. We detect a 2sigma-significant spectral feature at 3.5 keV in the spectrum of the full sample. When the sample is divided into two subsamples (cool-core and non-cool core clusters), the cool-core subsample shows no statistically significant positive residuals at the line energy. A very weak (approx. 2sigma confidence) spectral feature at 3.5 keV is permitted by the data from the non-cool-core clusters sample. The upper limit on a neutrino decay mixing angle of sin(sup 2)(2theta) = 6.1 x 10(exp -11) from the full Suzaku sample is consistent with the previous detections in the stacked XMM-Newton sample of galaxy clusters (which had a higher statistical sensitivity to faint lines), M31, and Galactic center, at a 90% confidence level. However, the constraint from the present sample, which does not include the Perseus cluster, is in tension with previously reported line flux observed in the core of the Perseus cluster with XMM-Newton and Suzaku.

dark matter↗

DOE OSTI2021

Mass Spectrometry Adduct Calculator

We describe the Mass Spectrometry Adduct Calculator (MSAC), an automated Python tool to calculate the adduct ion masses of a parent molecule. Here, adduct refers to a version of a parent molecule [M] that is charged due to addition or loss of atoms and electrons resulting in a charged ion, e.g. [M+H] + . MSAC includes a database of 2,341 potential ions and their mass-to-charge ratios (m/z) as extracted from the NIST/EPA/NIH Mass Spectral Library (NIST17), the Global Natural Products Social Molecular Networking Public Spectral Libraries (GNPS), and MassBank of North America (MoNA). The calculator relies on user-selected subsets of the combined database to calculate expected m/z for adducts of molecules supplied as formulas This tool is intended to help researchers create identification libraries to collect evidence for the presence of molecules in mass spectrometry data. While the included adduct database focuses on adducts typically detected during liquid chromatography-mass spectrometry analyses, users may supply their own lists of adducts and charge states for calculating expected m/z. We also analyzed statistics on adducts from spectra contained in the three selected mass spectral libraries. MSAC is freely available at https://github.com/pnnl/MSAC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Augmentation of MS/MS Libraries with Spectral Interpolation for Improved Identification

Tandem mass spectrometry (MS/MS) is a primary tool for identification of small molecules and metabolites where resultant spectra are most commonly identified by matching them with spectra in MS/MS reference libraries. The high degree of variability in MS/MS spectrum acquisition techniques and parameters creates a significant challenge for building standardized reference libraries. Here we present a method to improve the usefulness of existing MS/MS libraries by augmenting available experimental spectra datasets with statistically interpolated spectra at unreported collision energies. We find that highly accurate spectral approximations can be interpolated from as few as three experimental spectra and that the interpolated spectra will be consistent with true spectra gathered from the same instrument as the experimental spectra. Supplementing existing spectral databases with interpolated spectra yields consistent improvements to identification accuracy on a range of instruments and precursor types. Applying this method yields significant improvements (~10% more spectra correctly identified) on large datasets (2,000 - 10,000 spectra), indicating this is a quick yet adept tool for improving spectral matching in situations where available reference libraries are not yet sufficient. We also find improvements of matching spectra across instrument types (between an Agilent Q-TOF and an Orbitrap Elite), at high collision energies (50 - 90 eV), and with smaller datasets available through MassBank.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Spectral fluctuations in the Sachdev-Ye-Kitaev model

We present a detailed quantitative analysis of spectral correlations in the Sachdev-Ye-Kitaev (SYK) model. We find that the deviations from universal Random Matrix Theory (RMT) behavior are due to a small number of long-wavelength fluctuations (of the order of the number of Majorana fermions N ) from one realization of the ensemble to the next one. These modes can be parameterized effectively in terms of Q-Hermite orthogonal polynomials, the main contribution being due to scale fluctuations for which we give a simple analytical estimate. Our numerical results for N = 32 show that only the lowest eight polynomials are needed to eliminate the nonuniversal part of the spectral fluctuations. The covariance matrix of the coefficients of this expansion can be obtained analytically from low-order double-trace moments. We evaluate the covariance matrix of the first six moments and find that it agrees with the numerics. We also analyze the spectral correlations in terms of a nonlinear σ-model, which is derived through a Fierz transformation, and evaluate the one and two-point spectral correlation functions to two-loop order. The wide correlator is given by the sum of the universal RMT result and corrections whose lowest-order term corresponds to scale fluctuations. However, the loop expansion of the σ-model results in an ill-behaved expansion of the resolvent, and it gives universal RMT fluctuations not only for q= 4 or higher even q-body interactions, but also for the q= 2 SYK model albeit with a much smaller Thouless energy while the correct result in this case should have been Poisson statistics. In our numerical studies we analyze the number variance and spectral form factor for N = 32 and q = 4. We show that the quadratic deviation of the number variance for large energies appears as a peak for small times in the spectral form factor. After eliminating the long-wavelength fluctuations, we find quantitative agreement with RMT up to an exponentially large number of level spacings for the number variance or exponentially short times in the case of the spectral form factor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2001

Validation of the galactic cosmic ray and geomagnetic transmission models

A very high-momentum resolution particle spectrometer called the Alpha Magnetic Spectrometer (AMS) was flown in the payload bay of the Space Shuttle in a 51.65 degrees x 380-km orbit during the last solar minimum. This spectrometer has provided the first high statistics data set for galactic cosmic radiation protons, and helium, as well as limited spectral data on carbon and oxygen nuclei in the International Space Station orbit. First measurements of the albedo protons at this inclination were also made. Because of the high-momentum resolution and high statistics, the data can be separated as a function of magnetic latitude. A related investigation, the balloon borne experiment with a superconducting solenoid spectrometer (BESS), has been flown from Lynn Lake, Canada and has also provided excellent high-resolution data on protons and helium. These two data sets have been used here to study the validity of two galactic cosmic ray models and the geomagnetic transmission function developed from the 1990 geomagnetic reference field model. The predictions of both the CREME96 and NASA/JSC models are in good agreement with the AMS data. The shape of the AMS measured albedo proton spectrum, up to 2 GeV, is in excellent agreement with the previous balloon and satellite observations. A new LIS spectrum was developed that is consistent with both previous and new BESS 3He observations. Because the astronaut radiation exposures onboard ISS will be highest around the time of the solar minimum, these AMS measurements and these models provide important benchmarks for future radiation studies. AMS-02 slated for launch in September 2003, will provide even better momentum resolution and higher statistics data. Published by Elsevier Science Ltd.

unmanned↗

NASA NTRS1956

A reevaluaion of data on atmospheric turbulence and airplane gust loads for application in spectral calculations

The available information on the spectrum of atmospheric turbulence is first briefly reviewed. On the basis of these results, methods are developed for the conversion of available gust statistics normally given in terms of counts of gusts or acceleration peaks into a form appropriate for use in spectral calculations. The fundamental quantity for this purpose appears to be the probability distribution of the root-mean-square gust velocity. Estimates of this distribution are derived from data for a number of load histories of transport operations; also, estimates of the variation of this distribution with altitude and weather condition are derived from available data and the method of applying these results to the calculation of airplane gust-response histories in operations is also outlined. (author)

Press, Harry↗

DOE OSTI2022

Smart Spectral Matching (SSM)

Smart Spectral Matching (SSM) catalogs spectroscopic data and, within the platform, investigates subtle attributes of spectral signatures from Raman and infrared spectroscopic data and enables statistical identification of connections between underlying structural units and spectroscopic information, particularly in fuel cycle materials that are amorphous or a mixture of several phases. Catalogs spectroscopic data, provides UIs for machine learning training either via JupyterHub for notebooks or domain scientist-specific views, machine learning and catalog REST API Python client libraries, and ability to identify features in files uploaded using pre-trained machine learning models. This is a "service-based" architecture with multiple applications represented by each repository in the group https://github.com/smart-spectral-matching

McDonnell, Marshall [Oak Ridge National Lab. (ORNL↗

DOE OSTI2026

Stochastic equilibrium Raman spectroscopy (STERS)

In this manuscript, we propose a new method for cavity- and surface-enhanced Raman spectroscopy (SERS) with improved temporal resolution in the measurement of stochastic Raman spectral fluctuations. Our approach combines Fourier spectroscopy and photon correlation to decouple the integration time from the temporal resolution. Using statistical optics Monte Carlo simulations, we establish the relationship between time resolution and Raman signal strength, revealing that typical Raman spectral fluctuations, commensurate with molecular conformational dynamics, can theoretically be resolved on micro- to millisecond timescales. The method can further extract average single-molecule dynamics from small sub-ensembles, thereby potentially mitigating challenges in achieving strictly single-molecule isolation on SERS substrates.

Cobb-Bruno, Colburn [University of California, Ber↗

NASA NTRS1973

A summary of transition probabilities for atomic absorption lines formed in low-density clouds

A table of wavelengths, statistical weights, and excitation energies is given for 944 atomic spectral lines in 221 multiplets whose lower energy levels lie below 0.275 eV. Oscillator strengths were adopted for 635 lines in 155 multiplets from the available experimental and theoretical determinations. Radiation damping constants also were derived for most of these lines. This table contains the lines most likely to be observed in absorption in interstellar clouds, circumstellar shells, and the clouds in the direction of quasars where neither the particle density nor the radiation density is high enough to populate the higher levels. All ions of all elements from hydrogen to zinc are included which have resonance lines longward of 912 A, although a number of weaker lines of neutrals and first ions have been omitted.

Morton, D. C.↗

NASA NTRS1976

Inadequacy of the statistical many-body model for molecular infrared absorption in the far wings

It is known that the infrared absorption coefficient of CO2 in the far wings is far less than what is derived from the assumption of a Lorentzian absorption profile. Sorgen and Ben-Aryeh (1972) tried to show that by incorporating the statistical many-body model into impact theory, the discrepancy between the Lorentzian absorption profile and the experimental infrared absorption coefficient can be removed. This paper attempts to show that the high frequency or short-time property of the dipole-dipole interaction cannot be adequately explained by the many-body model; in other words, the statistical model as conventionally understood is not applicable to infrared spectral lines in the far wings.

Fowler, B. W.↗

NASA NTRS1977

Effect of the Shuttle contaminant environment on a sensitive infrared telescope

A sensitive IR telescope on the Space Shuttle Orbiter will be limited in its performance by fluctuations in the IR radiation from the natural environment and the contaminant atmosphere. Models of the Orbiter's contaminant atmosphere were used to predict its spectral radiance from 3 to 300 microns. At 350 km, statistical fluctuations in the radiation from a water vapor column, and a noise equivalent power were measured. This noise is somewhat smaller than the expected contribution from zodiacal light from 5 to 30 microns. The column density of all IR emitting molecules can be kept low only if restrictions on rocket firings and liquid vents are maintained. The relatively low frequency of particle sightings from Skylab, coupled with improvements in Orbiter venting techniques, indicate that sightings of particles 2 microns and larger in radius will not seriously hamper telescope performance provided that liquid vents and rocket firings are properly restricted.

Simpson, J. P.↗

NASA NTRS1982

Development of an automated processing and screening system for the space shuttle orbiter flight test data

One nemesis of the structural dynamist is the tedious task of reviewing large quantities of data. This data, obtained from various types of instrumentation, may be represented by oscillogram records, root-mean-squared (rms) time histories, power spectral densities, shock spectra, 1/3 octave band analyses, and various statistical distributions. In an attempt to reduce the laborious task of manually reviewing all of the space shuttle orbiter wideband frequency-modulated (FM) analog data, an automated processing system was developed to perform the screening process based upon predefined or predicted threshold criteria.

Mccutchen, D. K.↗