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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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At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Cluster Cosmology with the Velocity Distribution Function of the HeCS-SZ Sample

We apply the velocity distribution function (VDF) to a sample of Sunyaev–Zel'dovich (SZ)-selected clusters, and we report preliminary cosmological constraints in the ${\sigma }_{8}$-${{\rm{\Omega }}}_{m}$ cosmological parameter space. The VDF is a forward-modeled test statistic that can be used to constrain cosmological models directly from galaxy cluster dynamical observations. The method was introduced in Ntampaka et al. and employs line-of-sight velocity measurements to directly constrain cosmological parameters; it is less sensitive to measurement error than a standard halo mass function approach. The method is applied to the Hectospec Survey of Sunyaev–Zeldovich-Selected Clusters sample, which is a spectroscopic follow-up of a Planck-selected sample of 83 galaxy clusters. Credible regions are calculated by comparing the VDF of the observed cluster sample to that of mock observations, yielding ${{ \mathcal S }}_{8}$ $\equiv \,{\sigma }_{8}{\left({{\rm{\Omega }}}_{m}/0.3\right)}^{0.25}=0.751\pm 0.037$. These constraints are in tension with the Planck Cosmic Microwave Background TT fiducial value, which lies outside of our 95% credible region, but are in agreement with some recent analyses of large-scale structure that observe fewer massive clusters than are predicted by the Planck fiducial cosmological parameters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Decoherence of V B spin defects in monoisotopic hexagonal boron nitride

Spin defects in hexagonal boron nitride (hBN) are promising quantum systems for the design of flexible two-dimensional quantum sensing platforms. Here we rely on hBN crystals isotopically enriched with either 10B or 11B to investigate the isotope-dependent properties of a spin defect featuring a broadband photoluminescence signal in the near infrared. By analyzing the hyperfine structure of the spin defect while changing the boron isotope, we first unambiguously confirm that it corresponds to the negatively-charged boron-vacancy center (V− B ). We then show that its spin coherence properties are slightly improved in 10B-enriched samples. This is supported by numerical simulations employing cluster correlation expansion methods, which reveal the importance of the hyperfine Fermi contact term for calculating the coherence time of point defects in hBN. Using crossrelaxation spectroscopy, we finally identify dark electron spin impurities as an additional source of decoherence. This work provides new insights into the properties of V− B spin defects, which are valuable for the future development of hBN-based quantum sensing foils.

Haykal, A.↗
DOE OSTI2026

Drop clustering and drop size correlations from holographic imagery suggest cloud droplet spectral broadening via entrainment-mixing

The question of how droplets rapidly grow large enough to initiate collision-coalescence has persisted for decades. Many theories explaining the production of sufficiently large drops (i.e., those in the “bottleneck” size range; ∼ 25–50 µm diameters) involve drop clustering on millimeter scales. A novel method is introduced to evaluate drop clustering trends particle-by-particle (i.e., the number/proximity of neighboring drops for given droplets; defined as drop clustering fields) which are diagnosed relative to drops within their shared drop environments – in contrast to previous studies which diagnose drop clustering of defined sample volumes, or in terms of absolute length scales. Specifically, this study evaluates the statistical likelihood that drops of a given size are associated with either a significant number of neighboring drops, or are significantly isolated from neighboring drops. Observations are acquired from the HOLODEC during the Cloud System Evolution in the Trades campaign, which sampled subtropical marine clouds. The HOLODEC measures drop size distributions and the 3D spatial coordinates of droplets. Results show drops within the bottleneck size range (diameters of ∼ 25–50 µm) are most likely to be significantly isolated from neighboring drops. This “isolated large drop trend” is primarily observed at subsaturated conditions, suggesting entrainment is the contributing factor. Holograms associated with this trend are more likely to have broader drop size distributions, larger maximum drop sizes and overly regions where precipitation reaches the lowest altitudes from the sampled cloud, suggesting entrainment-mixing drop size distribution broadening is a relevant precipitation-initiation mechanism.

D'Alessandro, John J. [Univ. of Washington, Seattl↗
NASA NTRS1982

Automatic classification of clouds on Meteosat imagery - Application to high-level clouds

A statistical classification method based on clustering on three-dimensional histograms is applied to the three channels of the Meteosat imagery. The results of this classification are studied for different cloud cover cases over tropical regions. For high-level cloud classes, it is shown that the bidimensional IR-water vapor histogram allows one to deduce the cloud top temperature even for semi-transparent clouds.

Desbois, M.↗
NASA NTRS1985

Feasibility of using LANDSAT images of vegetation cover to estimate effective hydraulic properties of soils

Research activities conducted from February 1, 1985 to July 31, 1985 and preliminary conclusions regarding research objectives are summarized. The objective is to determine the feasibility of using LANDSAT data to estimate effective hydraulic properties of soils. The general approach is to apply the climatic-climax hypothesis (Ealgeson, 1982) to natural water-limited vegetation systems using canopy cover estimated from LANDSAT data. Natural water-limited systems typically consist of inhomogeneous vegetation canopies interspersed with bare soils. The ground resolution associated with one pixel from LANDSAT MSS (or TM) data is generally greater than the scale of the plant canopy or canopy clusters. Thus a method for resolving percent canopy cover at a subpixel level must be established before the Eagleson hypothesis can be tested. Two formulations are proposed which extend existing methods of analyzing mixed pixels to naturally vegetated landscapes. The first method involves use of the normalized vegetation index. The second approach is a physical model based on radiative transfer principles. Both methods are to be analyzed for their feasibility on selected sites.

Eagleson, P. S.↗
NASA NTRS1992

Accurate ab initio quartic force fields for borane and BeH2

The quartic force fields of BH3 and BeH2 have been computed ab initio using an augmented coupled cluster (CCSD(T)) method and basis sets of spdf and spdfg quality. For BH3, the computed spectroscopic constants are in very good agreement with recent experimental data, and definitively confirm misassignments in some older work, in agreement with recent ab initio studies. Using the computed spectroscopic constants, the rovibrational partition function for both molecules has been constructed using a modified direct numerical summation algorithm, and JANAF-style thermochemical tables are presented.

Martin, J. M. L.↗
NASA NTRS1993

Automatic definition of spectral units in the equatorial regions of Mars

ISM was the first instrument that acquired spectra of small areas (25x25 sq km) on a planetary surface. The data set consists mainly in images made up of about 3000 such pixels, each one corresponding to a near-infrared spectrum (0.76 to 3.15 microns in 128 spectral channels) with high signal-to-noise ratio. These data were used to define spectral units and to constrain the mineralogy of surface materials in the equatorial regions of the planet. Future spaceborne imaging spectrometers (e.g. OMEGA on board the Mars-94 Russian spacecraft) are expected to provide several hundred times as much data as ISM, so there's a strong need for fast and reliable processing methods. The present work is an attempt to define spectral units in the region of Syrtis Major-Isidis Planitia by means of G-mode analysis. The method allows to cluster the spectra according to their similarities; different levels of classification can be achieved by tuning a threshold of confidence.

Erard, Stephane↗
NASA NTRS1995

The Anharmonic Force Field of Ethylene, C2H4, by Means of Accurate Ab Initio Calculations

The quartic force field of ethylene, C2H4, has been calculated ab initio using augmented coupled cluster, CCSD(T), methods and correlation consistent basis sets of spdf quality. For the C-12 isotopomers C2H4, C2H3D, H2CCD2, cis-C2H2D2, trans-C2H2D2, C2HD3, and C2D4, all fundamentals could be reproduced to better than 10 per centimeter, except for three cases of severe Fermi type 1 resonance. The problem with these three bands is identified as a systematic overestimate of the Kiij Fermi resonance constants by a factor of two or more; if this is corrected for, the predicted fundamentals come into excellent agreement with experiment. No such systematic overestimate is seen for Fermi type 2 resonances. Our computed harmonic frequencies suggest a thorough revision of the accepted experimentally derived values. Our computed and empirically corrected re geometry differs substantially from experimentally derived values: both the predicted rz geometry and the ground-state rotational constants are, however, in excellent agreement with experiment, suggesting revision of the older values. Anharmonicity constants agree well with experiment for stretches, but differ substantially for stretch-bend interaction constants, due to equality constraints in the experimental analysis that do not hold. Improved criteria for detecting Fermi and Coriolis resonances are proposed and found to work well, contrary to the established method based on harmonic frequency differences that fails to detect several important resonances for C2H4 and its isotopomers. Surprisingly good results are obtained with a small spd basis at the CCSD(T) level. The well-documented strong basis set effect on the v8 out-of-plane motion is present to a much lesser extent when correlation-optimized polarization functions are used. Complete sets of anharmonic, rovibrational coupling, and centrifugal distortion constants for the isotopomers are available as supplementary material to the paper.

Martin, Jan M. L.↗
NASA NTRS2004

Physics of Galaxy Clusters and How it Affects Cosmological Tests

The main activities in 2004 were focused on completion of the new 400 square degrees ROSAT PSPC survey for distant galaxy clusters. We observed and reduced optical spectra for all X-ray candidates and now we have complete identification for a statistically complete sample of distant 283 clusters. The papers describing the cluster catalog and first science results are in preparation and will be submitted in early 2005. We also completed a project to measure temperature and density profiles at large radii using Chandra observations of a 11 well exposed low-redshift clusters. We were able to demonstrate that the density, temperature, and total mass profiles are self-similar at large radii. This analysis has led to significant improvements in determination of the cluster baryon fraction as well as cosmologically important scaling relations, such as Mtot-T. The paper describing these results is submitted to ApJ in November, 2004. We continued to study evolution of the cluster scaling relations at high redshifts using Chandra and XMM data. We developed code for image and spectral deconvolution of the XMM observations. This code was used to reconstruct the distribution of baryons and total mass from observations of distant clusters which suffer from the finite size of the XMM PSF. This study allowed us to derive a high-redshift relation between cluster temperature and mass and compare it with the local relation obtained. The paper describing the first results is submitted to the ApJ. However, the project is still on-going as more distant cluster observations enter XMh4 and Chandra public data archives. We continued our work on improving techniques for accurate measurements of the cluster mass function and obtaining cosmological constraints from such observations. We published (ApJ, 601, 610) a study in which we derived the baryon mass function for a complete sample of low-redshift clusters. These papers argued that it was an excellent proxy for the total mass function. The baryon mass function can be used to constrain the amplitude and slope of the density fluctuation power spectrum on cluster scales. This method does not use observational determinations of the total mass and thus bypasses major uncertainties in the traditional analyses based on the X-ray temperature function. We derived the measurements for the amplitude of density perturbations, sigma8 = 0.72 +/- 0.04 and the shape parameter Omega*h = 0.l3 +/- 0.07, in good agreement with a number of independent methods.

Oliversen, Ronald J.↗
NASA NTRS2006

PixelLearn

PixelLearn is an integrated user-interface computer program for classifying pixels in scientific images. Heretofore, training a machine-learning algorithm to classify pixels in images has been tedious and difficult. PixelLearn provides a graphical user interface that makes it faster and more intuitive, leading to more interactive exploration of image data sets. PixelLearn also provides image-enhancement controls to make it easier to see subtle details in images. PixelLearn opens images or sets of images in a variety of common scientific file formats and enables the user to interact with several supervised or unsupervised machine-learning pixel-classifying algorithms while the user continues to browse through the images. The machinelearning algorithms in PixelLearn use advanced clustering and classification methods that enable accuracy much higher than is achievable by most other software previously available for this purpose. PixelLearn is written in portable C++ and runs natively on computers running Linux, Windows, or Mac OS X.

Mazzoni, Dominic↗
NASA NTRS2017

The NASA Analogy Software Cost Model: A Web-Based Cost Analysis Tool

This paper provides an overview of the many new features and algorithm updates in the release of the NASA Analogy Software Cost Tool (ASCoT). ASCoT is a web-based tool that provides a suite of estimation tools to support early lifecycle NASA Flight Software analysis. ASCoT employs advanced statistical methods such as Cluster Analysis to provide an analogy based estimate of software delivered lines of code and development effort, a regression based Cost Estimating Relationships (CER) model that estimates cost (dollars), and a COCOMO II based estimate. The ASCoT algorithms are designed to primarily work with system level inputs such as mission type (earth orbiter vs. planetary vs. rover), the number of instruments, and total mission cost. This allows the user to supply a minimal number of mission-level parameters which are better understood early in the life-cycle, rather than a large number of complex inputs.

Hihn, Jairus↗
NASA NTRS2021

Potential impact of aerosols on convective clouds revealed by Himawari-8 observations over different terrain types in eastern China

Convective clouds are common and play a major role in Earth's water cycle and energy balance; they may even develop into storms and cause severe rainfall events. To understand the convective cloud development process, this study investigates the impact of aerosols on convective clouds by considering the influence of both topography and diurnal variation in radiation. By combining texture analysis, clustering, and thresholding methods, we identify all convective clouds in two warm seasons (May–September, 2016/17) in eastern China based on Himawari-8 Level 1 data. Having large diurnally resolved cloud data together with surface meteorological and environmental measurements, we investigate convective cloud properties and their variation, stratified by elevation and diurnal change. We then analyze the potential impact of aerosol on convective clouds under different meteorological conditions and topographies. In general, convective clouds tend to occur preferentially under polluted conditions in the morning, which reverses in the afternoon. Convective cloud fraction first increases then decreases with aerosol loading, which may contribute to this phenomenon. Topography and diurnal meteorological variations may affect the strength of aerosol microphysical and radiative effects. Updraft is always stronger along the windward slopes of mountains and plateaus, especially in northern China. The prevailing southerly wind near the foothills of mountains and plateaus is likely to contribute to this windward strengthening of updraft and to bring more pollutant into the mountains, thereby strengthening the microphysical effect, invigorating convective clouds. By comparison, over plain, aerosols decrease surface heating and suppress convection by blocking solar radiation reaching the surface.

clouds↗
NASA NTRS2021

Potential impact of aerosols on convective clouds revealed by Himawari-8 observations over different terrain types in Eastern China

Convective clouds are common and play a major role in Earth’s water cycle and energy balance; they may even develop into storms and cause severe rainfall events. To understand the convective cloud development process, this study investigates the impact of aerosols on convective clouds by considering the influence of both topography and diurnal variation of radiation. By combining texture analysis, clustering and thresholding methods, we identify all convective clouds in two warm seasons (May-September, 2016-2017) in eastern China based on Himawari-8 Level 1 data. Having a large diurnally resolved cloud data together with surface meteorological and environmental measurements, we investigate convective cloud properties and their variation, stratified by elevation and diurnal change. We then analyze the potential impact of aerosol on convective clouds under different meteorological conditions and topographies. In general, convective clouds tend to occur preferentially under polluted conditions in the morning, which reverses in the afternoon. Convective cloud fraction first increases then decreases with aerosol loading, which may contribute to this phenomenon. Topography and diurnal meteorological variations may affect the strength of aerosol microphysical and radiative effects. Updraft is always stronger along the windward slopes of mountains and plateaus, especially in northern China. The prevailing southerly wind near the foothills of mountains and plateaus is likely to contribute to this windward strengthening of updraft and to bring more pollutant into the mountains, thereby strengthening the microphysical effect, invigorating convective clouds. By comparison, over plain, aerosols decrease surface heating and suppresses convection by blocking solar radiation reaching the surface.

Tianmeng Chen↗
DOE OSTI2018

Similarity-transformed equation-of-motion vibrational coupled-cluster theory

A similarity-transformed equation-of-motion vibrational coupled-cluster (STEOM-XVCC) method is introduced as a one-mode theory with an effective vibrational Hamiltonian, which is similarity transformed twice so that its lower-order operators are dressed with higher-order anharmonic effects. The first transformation uses an exponential excitation operator, defining the equation-of-motion vibrational coupled-cluster (EOM-XVCC) method, and the second uses an exponential excitation-deexcitation operator. From diagonalization of this doubly similarity-transformed Hamiltonian in the small one-mode excitation space, the method simultaneously computes accurate anharmonic vibrational frequencies of all fundamentals, which have unique significance in vibrational analyses. We establish a diagrammatic method of deriving the working equations of STEOM-XVCC and prove their connectedness and thus size-consistency as well as the exact equality of its frequencies with the corresponding roots of EOM-XVCC. We furthermore elucidate the similarities and differences between electronic and vibrational STEOM methods and between STEOM-XVCC and vibrational many-body Green’s function theory based on the Dyson equation, which is also an anharmonic one-mode theory. The latter comparison inspires three approximate STEOM-XVCC methods utilizing the common approximations made in the Dyson equation: the diagonal approximation, a perturbative expansion of the Dyson self-energy, and the frequency-independent approximation. The STEOM-XVCC method including up to the simultaneous four-mode excitation operator in a quartic force field and its three approximate variants are formulated and implemented in computer codes with the aid of computer algebra, and they are applied to small test cases with varied degrees of anharmonicit

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

Cluster truncated Wigner approximation in strongly interacting systems

We present a general method by which linear quantum Hamiltonian dynamics with exponentially many degrees of freedom is replaced by approximate classical nonlinear dynamics with the number of degrees of freedom (phase space dimensionality) scaling polynomially in the system size. This method is based on generalization of the truncated Wigner approximation (TWA) to a higher dimensional phase space, where phase space variables are associated with a complete set of quantum operators spanning finite size clusters. The method becomes asymptotically exact with increasing cluster size. The crucial feature of TWA is fluctuating initial conditions, which we approximate by a Gaussian distribution. We show that such fluctuations dramatically increase accuracy of TWA over traditional cluster mean-field approximations. In this way we can treat on equal footing quantum and thermal fluctuations as well as compute entanglement and various equal and non-equal time correlation functions. The main limitation of the method is exponential scaling of the phase space dimensionality with the cluster size, which can be significantly reduced by using the language of Schwinger bosons and can likely be further reduced by truncating the local Hilbert space variables. We demonstrate the power of this method analyzing dynamics in various spin chains with and without disorder and show that we can capture such phenomena as long time hydrodynamic relaxation, many-body localization and the ballistic spread of entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

P SI4 1.4: Open-source software for high-throughput quantum chemistry

PSI4 is a free and open-source ab initio electronic structure program providing implementations of Hartree–Fock, density functional theory, many-body perturbation theory, configuration interaction, density cumulant theory, symmetry-adapted perturbation theory, and coupled-cluster theory. Most of the methods are quite efficient, thanks to density fitting and multi-core parallelism. The program is a hybrid of C++ and Python, and calculations may be run with very simple text files or using the Python API, facilitating post-processing and complex workflows; method developers also have access to most of PSI4 's core functionalities via Python. Job specification may be passed using The Molecular Sciences Software Institute (MolSSI) QCSCHEMA data format, facilitating interoperability. We announce a rewrite of our top-level computation driver, and concomitant adoption of the MolSSI QCARCHIVE INFRASTRUCTURE project, makes the latest version of PSI4 well suited to distributed computation of large numbers of independent tasks. The project has fostered the development of independent software components that may be reused in other quantum chemistry programs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Utah FORGE Project 3-2417: DAS Microseismic Event Catalog from the 16A/16B Circulation Test, 2023

This preliminary data archive includes the relocated microseismic event catalog, 1D velocity model, and methods report from DAS acquisition conducted during the Well 16A and 16B circulation test (July 19th and 20th, 2023) at Utah FORGE. The methods report describes all processing steps, including real-time event detection, hierarchical clustering, joint velocity/hypocenter inversion, and relocation. The resulting work is accepted and will be presented at IMAGE 2024. This dataset was acquired by the FOGMORE R&D project (Fiber Optic MOnitoring for Reservoir Evolution), Utah FORGE R&D Project 3-2417.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Local primordial non-Gaussianity from the large-scale clustering of photometric DESI luminous red galaxies

ABSTRACT We use angular clustering of luminous red galaxies from the Dark Energy Spectroscopic Instrument (DESI) imaging surveys to constrain the local primordial non-Gaussianity parameter fNL. Our sample comprises over 12 million targets, covering 14 000 deg2 of the sky, with redshifts in the range 0.2 < z < 1.35. We identify Galactic extinction, survey depth, and astronomical seeing as the primary sources of systematic error, and employ linear regression and artificial neural networks to alleviate non-cosmological excess clustering on large scales. Our methods are tested against simulations with and without fNL and systematics, showing superior performance of the neural network treatment. The neural network with a set of nine imaging property maps passes our systematic null test criteria, and is chosen as the fiducial treatment. Assuming the universality relation, we find $f_{\rm NL} = 34^{+24(+50)}_{-44(-73)}$ at 68 per cent (95 per cent) confidence. We apply a series of robustness tests (e.g. cuts on imaging, declination, or scales used) that show consistency in the obtained constraints. We study how the regression method biases the measured angular power spectrum and degrades the fNL constraining power. The use of the nine maps more than doubles the uncertainty compared to using only the three primary maps in the regression. Our results thus motivate the development of more efficient methods that avoid overcorrection, protect large-scale clustering information, and preserve constraining power. Additionally, our results encourage further studies of fNL with DESI spectroscopic samples, where the inclusion of 3D clustering modes should help separate imaging systematics and lessen the degradation in the fNL uncertainty.

79 ASTRONOMY AND ASTROPHYSICS↗