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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 181 records · Page 10

Skill Assessment of a Spectral Ocean-Atmosphere Radiative Model

Ocean phytoplankton, detrital material, and water absorb and scatter light spectrally. The Ocean- Atmosphere Spectral Irradiance Model (OASIM) is intended to provide surface irradiance over the oceans with sufficient spectral resolution to support ocean ecology, biogeochemistry, and heat exchange investigations, and of sufficient duration to support inter-annual and decadal investigations. OASIM total surface irradiance (integrated 200 nm to 4 microns) was compared to in situ data and three publicly available global data products at monthly 1-degree resolution. OASIM spectrally-integrated surface irradiance had root mean square (RMS) difference= 20.1 W/sq m (about 11%), bias=1.6 W/sq m (about 0.8%), regression slope= 1.01 and correlation coefficient= 0.89, when compared to 2322 in situ observations. OASIM had the lowest bias of any of the global data products evaluated (ISCCP-FD, NCEP, and ISLSCP 11), and the best slope (nearest to unity). It had the second best RMS, and the third best correlation coefficient. OASIM total surface irradiance compared well with ISCCP-FD (RMS= 20.7 W/sq m; bias=-11.4 W/sq m, r=0.98) and ISLSCP II (RMS =25.2 W/sq m; bias= -13.8 W/sq m; r=0.97), but less well with NCEP (RMS =43.0 W/sq m ;bias=-22.6 W/sq m; x=0.91). Comparisons of OASIM photosynthetically available radiation (PAR) with PAR derived from SeaWiFS showed low bias (-1.8 mol photons /sq m/d, or about 5%), RMS (4.25 mol photons /sq m/d ' or about 12%), near unity slope (1.03) and high correlation coefficient (0.97). Coupled with previous estimates of clear sky spectral irradiance in OASIM (6.6% RMS at 1 nm resolution), these results suggest that OASIM provides reasonable estimates of surface broadband and spectral irradiance in the oceans, and can support studies on ocean ecosystems, carbon cycling, and heat exchange.

Gregg, Watson, W.↗

Laboratory measurements of physical, chemical, and optical characteristics of Lake Chicot sediment waters

Reflectance, chromaticity, diffuse attenuation, beam attenuation, and several other physical and chemical properties were measured for various water mixtures of lake bottom sediment. Mixture concentrations range from 5 ppm to 700 ppm by weight of total suspended solids in filtered deionized tap water. Upwelled reflectance is a nonlinear function of remote sensing wave lengths. Near-infrared wavelengths are useful for monitoring highly turbid waters with sediment concentrations above 100 ppm. It is found that both visible and near infrared wavelengths, beam attenuation correlates well with total suspended solids ranging over two orders of magnitude.

Witte, W. G.↗

Templates of expected measurement uncertainties for total neutron cross-section observables

This paper provides a template of expected uncertainties and correlations for measurements of total neutron cross-section observables by transmission. Measurements with time-of-flight and mono-energetic neutron sources are covered. The information required for evaluations in the resonance region and high energy region is detailed, along with the template of uncertainties and correlations that can be used in the absence of other information.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Gravitational-wave signature of core-collapse supernovae

Here, we calculate the gravitational-wave (GW) signatures of detailed 3D core-collapse supernova sim ulations spanning a range of massive stars. Most of the simulations are carried out to times late enough to capture more than 95% of the total GW emission. We find that the f/g-mode and f-mode of proto-neutron star oscillations carry away most of the GW power. The f-mode frequency inex orably rises as the proto-neutron star (PNS) core shrinks. We demonstrate that the GW emission is excited mostly by accretion plumes onto the PNS that energize modal oscillations and also high frequency (“haze”) emission correlated with the phase of violent accretion. The duration of the major phase of emission varies with exploding progenitor and there is a strong correlation between the total GW energy radiated and the compactness of the progenitor. Moreover, the total GW emissions vary by as much as three orders of magnitude from star to star. For black-hole formation, the GW signal tapers off slowly and does not manifest the haze seen for the exploding models. For such failed models, we also witness the emergence of a spiral shock motion that modulates the GW emission at a frequency near ~100 Hertz that slowly increases as the stalled shock sinks. We find significant angular anisotropy of both the high- and low-frequency (memory) GW emissions, though the latter have very little power.

79 ASTRONOMY AND ASTROPHYSICS↗

On Digital Simulation of Multicorrelated Random Processes and Its Applications

Two methods are described to simulate, on a digital computer, a set of correlated, stationary, and Gaussian time series with zero mean from the given matrix of power spectral densities and cross spectral densities. The first method is based upon trigonometric series with random amplitudes and deterministic phase angles. The random amplitudes are generated by using a standard random number generator subroutine. An example is given which corresponds to three components of wind velocities at two different spatial locations for a total of six correlated time series. In the second method, the whole process is carried out using the Fast Fourier Transform approach. This method gives more accurate results and works about twenty times faster for a set of six correlated time series.

Sinha, A. K.↗

Source function from two-particle correlation function through entropy-regularized Richardson-Lucy deblurring

Source functions are obtained from p – p and d – α correlation functions by applying the Richardson-Lucy (RL) deblurring to the Koonin-Pratt (KP) equation. To prevent fitting of noise in the correlation function, total-variation (TV) regularization is employed that has been effective in ordinary image restoration. TV alone cannot ensure normalization of the source functions. To ensure the latter, we propose a maximum-entropy regularized RL algorithm (MEM-RL). We outline the MEM-RL formalism and optimization strategy for the KP equation, demonstrating its effectiveness on both simulated and experimental data, including the p – p and d – α correlation functions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Gravitational star formation thresholds and gas density in three galaxies

It has long been held that the star formation rate (SFR) may be described as a power law of the gas density, p(exp n), as given by Schmidt (1959). However, this relation has as yet remained poorly defined and is likewise poorly understood. In particular, most studies have been investigations of global gas and star formation properties of galaxies, due to lack of adequate high-resolution data for detailed studies of individual galaxies. The three spiral galaxies in this study have published maps of both H2 (as traced by CO), and HI, thereby enabling the authors to investigate the relationship between total gas surface density and SFR. The purpose of the present investigation is the comparison of spatially-resolved total surface gas density in three galaxies (NGC 6946, M51, and M83) to sigma sub c as given by the above model. CO, HI and H alpha data for NGC 6946 were taken from Tacconi-Garman (1988), and for M51 and M83 from Lord (1987). The authors used a CO-H2 conversion of N(H2)/I sub CO(exp cos i = 2.8 x 10(exp 20) atoms cm(-2)/(K kms(-1), and summed the H2 and HI data for each galaxy to obtain the total hydrogen gas density. This total was then multiplied by a factor of 1.36 to include the contribution of helium to the total surface gas density. The authors assumed distances to NGC 6946, M51, and M83 to be 6.0, 9.6, and 8.9 Mpc respectively, with inclination angles of 30, 20, and 26 degrees. H alpha flux was used as the measure of SFR for NGC 6946, and SFR for the remaining two galaxies was taken directly from Lord as computed from H alpha measurements. The results of these full-disk studies thus show a remarkable correlation between the total gas density and the threshold densities given by the gravitational stability criterion. In particular, the threshold density appears to mark a lower boundary to the range of gas densities in these galaxies, which may have consequence in determining appropriate models for star formation and gas dynamics. More evidence is required to verify this result, and the authors are currently undertaking a high-resolution study of the nearby spiral M33 and other galaxies to further investigate this problem.

Oey, M. S.↗

The VLBA correlator: Real-time in the distributed era

The correlator is the signal processing engine of the Very Long Baseline Array (VLBA). Radio signals are recorded on special wideband (128 Mb/s) digital recorders at the 10 telescopes, with sampling times controlled by hydrogen maser clocks. The magnetic tapes are shipped to the Array Operations Center in Socorro, New Mexico, where they are played back simultaneously into the correlator. Real-time software and firmware controls the playback drives to achieve synchronization, compute models of the wavefront delay, control the numerous modules of the correlator, and record FITS files of the fringe visibilities at the back-end of the correlator. In addition to the more than 3000 custom VLSI chips which handle the massive data flow of the signal processing, the correlator contains a total of more than 100 programmable computers, 8-, 16- and 32-bit CPUs. Code is downloaded into front-end CPU's dependent on operating mode. Low-level code is assembly language, high-level code is C running under a RT OS. We use VxWorks on Motorola MVME147 CPU's. Code development is on a complex of SPARC workstations connected to the RT CPU's by Ethernet. The overall management of the correlation process is dependent on a database management system. We use Ingres running on a Sparcstation-2. We transfer logging information from the database of the VLBA Monitor and Control System to our database using Ingres/NET. Job scripts are computed and are transferred to the real-time computers using NFS, and correlation job execution logs and status flow back by the route. Operator status and control displays use windows on workstations, interfaced to the real-time processes by network protocols. The extensive network protocol support provided by VxWorks is invaluable. The VLBA Correlator's dependence on network protocols is an example of the radical transformation of the real-time world over the past five years. Real-time is becoming more like conventional computing. Paradoxically, 'conventional' computing is also adopting practices from the real-time world: semaphores, shared memory, light-weight threads, and concurrency. This appears to be a convergence of thinking.

Wells, D. C.↗

Contribution of Small-Scale Correlated Fluctuations of Microstructural Properties of a Spatially Extended Geophysical Target Under the Assessment of Radar Backscatter

The study of the collective effects of radar scattering from an aggregation of discrete scatterers randomly distributed in a space is important for better understanding the origin of the backscatter from spatially extended geophysical targets (SEGT). We consider the microstructure irregularities of a SEGT as the essential factor that affect radar backscatter. To evaluate their contribution this study uses the "slice" approach: particles close to the front of incident radar wave are considered to reflect incident electromagnetic wave coherently. The radar equation for a SEGT is derived. The equation includes contributions to the total backscatter from correlated small-scale fluctuations of the slice's reflectivity. The correlation contribution changes in accordance with an earlier proposed idea by Smith (1964) based on physical consideration. The slice approach applied allows parameterizing the features of the SEGT's inhomogeneities.

Yurchak, Boris S.↗

Isotopic mass effects of tritium-fueled high-performance TFTR supershots

An increase in total stored energy correlated with the addition of tritium fuel was observed in supershots during the TFTR DT campaign. This supershot regime had strikingly high, centrally peaked ion and electron temperatures, and the largest neutron emission rates observed in TFTR. This paper presents a study of the causes of this increase in stored energy in supershots. Twenty-six supershots have been recently reanalyzed with the TRANSP plasma analysis code. Early TRANSP simulations did not accurately match the measured magnitude and time evolutions of the neutron emission rates. This mismatch is attributed to neglecting apparent increases of trace amounts of heavy impurities during neutral beam injection. The new TRANSP runs were tuned to accommodate this and match the measured global neutron emission rates. These new runs also had improved fidelity in predicting the time histories and radial dependencies of measured DT neutron emission rates. That in turn adds confidence in the simulated thermal deuterium and tritium density profiles that are needed for calculating the average hydrogenic atomic mass profiles. Six subsets of these supershots had well matched toroidal field B tor , plasma current I p , flux geometry, and total injected neutral beam power. The mix of D and T beam ions was varied for different discharges. The magnitude of the increase of the thermal ion energy W i with added tritium was relatively small, and the total W tot increase is dominated by the increase in fast beam ions with T. Analyses at times before the occurrences of deleterious MHD instabilities yielded scaling of W tot with the volume-average isotopic mass consistent with previous publications. The relative fraction of fast energy ions is expected to be small in practical tokamak reactors. Thus the increase in stored energy W tot observed in TFTR supershots does not appear likely to be significantly helpful for producing useful fusion energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Litter chemistry influences decomposition through activity of specific microbial functional guilds

Abstract Niche differentiation among species is a key mechanism by which biodiversity may be linked to ecosystem function. We tested a set of widely invoked hypotheses about the extent of niche differentiation in one of the most diverse communities on Earth, decomposer microorganisms, by measuring their response to changes in three abundant litter resources: lignin, cellulose, and nitrogen (N). To do this, we used the model system Arabidopsis thaliana to manipulate lignin, cellulose, and N availability and then used high‐throughput sequencing to measure the response of microbial communities during decay. Resequencing the decomposer communities after incubation of decomposed litter with pure substrates showed that groups of species had unique substrate use profiles, such that species organized into functional “guilds” of decomposers that were associated with individual litter chemicals. Low concentrations of lignin, cellulose, or N in the litter caused unique shifts in decomposer community composition after 1 yr of decay. Low cellulose plants had low levels of fungi in all decomposer guilds, low lignin plants had high levels of fungi in all decomposer guilds, and low N plants had low levels of fungi in decomposer guilds associated with sucrose and lignin. The relative abundance of decomposer guilds correlated with the total loss of individual litter chemicals during litter decay in the field. In addition, N fertilization shifted decomposer communities during both the early and later stages of decay to those dominated by decomposers in the cellulose guild. Our results contrast the assumption that major carbon (C) and N degradation mechanisms are uniform across whole decomposer communities and instead suggest that decomposition arises from complementarity among groups of metabolically distinct taxa.

Bhatnagar, Jennifer M.↗

Validation and demonstration of the AEFC as a practical safeguards tool for inventory verification

The Advanced Experimental Fuel Counter (AEFC) is a nondestructive assay (NDA) instrument designed to determine the residual fissile mass in irradiated fuel assemblies for safeguards verification purposes. This is done by actively interrogating an assembly with a neutron source and measuring the total (Singles) and correlated (Doubles) neutron count rates resulting from induced fissions in the irradiated nuclear fuel and relating those rates to the residual fissile mass using calibration curves. Comprehensive NDA measurements of the irradiated fuel inventory at Israeli Research Reactor 1 (IRR-1) were taken with the AEFC to validate a set of previously developed calibration curves. During the campaign, measurements were acquired of 32 standard fuel assemblies and three control assemblies in just nine days. This is a significant majority of the research reactor's irradiated fuel inventory and the largest data set gathered by the AEFC to date. Many of the fuel assemblies measured during the campaign had much shorter cooling times than those assemblies previously measured with the instrument. Calibration curves developed from previous AEFC deployments were used to determine the residual 235 U mass in the measured standard fuel assemblies. The results of the campaign demonstrated that the AEFC can be used to estimate the 235 U mass remaining in a large number of irradiated fuel assemblies with 1%–5% uncertainty in a reasonable amount of time despite operating in a high dose environment.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Ectopic Production of 3,4-Dihydroxybenzoate in Planta Affects Cellulose Structure and Organization

Lignocellulosic biomass is a highly sustainable and largely carbon dioxide neutral feedstock for the production of biofuels and advanced biomaterials. Although thermochemical pretreatment is typically used to increase the efficiency of cell wall deconstruction, genetic engineering of the major plant cell wall polymers, especially lignin, has shown promise as an alternative approach to reduce biomass recalcitrance. Poplar trees with reduced lignin content and altered composition were previously developed by overexpressing bacterial 3-dehydroshikimate dehydratase (QsuB) enzyme to divert carbon flux from the shikimate pathway. In this work, three transgenic poplar lines with increasing QsuB expression levels and different lignin contents were studied using small-angle neutron scattering (SANS) and wide-angle X-ray scattering (WAXS). SANS showed that although the cellulose microfibril cross-sectional dimension remained unchanged, the ordered organization of the microfibrils progressively decreased with increased QsuB expression. This was correlated with decreasing total lignin content in the QsuB lines. WAXS showed that the crystallite dimensions of cellulose microfibrils transverse to the growth direction were not affected by the QsuB expression, but the crystallite dimensions parallel to the growth direction were decreased by ~20%. Cellulose crystallinity was also decreased with increased QsuB expression, which could be related to high levels of 3,4-dihydroxybenzoate, the product of QsuB expression, disrupting microfibril crystallization. In addition, the cellulose microfibril orientation angle showed a bimodal distribution at higher QsuB expression levels. Altogether, this study provides new structural insights into the impact of ectopic synthesis of small-molecule metabolites on cellulose organization and structure that can be used for future efforts aimed at reducing biomass recalcitrance.

59 BASIC BIOLOGICAL SCIENCES↗

Linear-Scaling Local Natural Orbital-Based Full Triples Treatment in Coupled-Cluster Theory

We present an efficient, asymptotically linear-scaling implementation of the canonically O(N 8 ) coupled-cluster method with singles, doubles, and full triples excitations (CCSDT) method. We apply the domain-based local pair natural orbital (DLPNO) approach for computing CCSDT amplitudes. Our method, called DLPNO–CCSDT, uses the converged coupled-cluster amplitudes from a preceding DLPNO–CCSD(T) computation as a starting point for the solution of the CCSDT equations in the local natural orbital basis. To simplify the working equations, we t1-dress our two-electron integrals and Fock matrices, allowing our equations to take on the form of CCDT. With appropriate parameters, our method can recover more than 99.99% of the total canonical CCSDT correlation energy. In addition, we demonstrate that our method consistently yields sub-kJ mol –1 errors in relative energies when compared to canonical CCSDT, and, likewise, when computing the difference between CCSDT and CCSD(T). Finally, to highlight the low scaling of our algorithm, we present timings on linear alkanes (up to 30 carbons and 730 basis functions) and water clusters (up to 131 water molecules and 3144 basis functions).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plasmonic Conducting Metal Oxide-Based Optical Fiber Sensors for Chemical and Intermediate Temperature-Sensing Applications

The demand for real-time sensors in harsh environments at elevated temperature is significant and increasing. In this manuscript, the chemical and temperature sensing using the optical response through the practical fiber platform is demonstrated, and principle component analysis is coupled with targeted experimental film characterization to understand the fundamental sensing layer properties, which dominate measured gas sensing responses in complex gas mixtures. More specifically, tin-doped indium oxide-decorated sensors fabricated with the sol–gel method show stable and stepwise transmission responses varying over a wide range of H2 concentration (5–100%) at 250–350 °C as well as responses to CH4 and CO to a lesser extent. Measured responses are attributed to modifications to the surface plasmon resonance absorption in the near-infrared range and are dominated by the highest concentrations of the most-reducing analyte based upon systematic mixed gas stream experiments. Principal component analysis is utilized for this type of sensor to improve the quantitative and qualitative understanding of responses, clearly identifying that the dominant principle component (PC #1) accounts for ~78% of total data variance. Correlations between PC #1 and the experimentally derived free carrier concentration confirm that this material property plays the strongest role on the ITO gas sensing mechanism, while correlations between the free carrier mobility and the second most important principle component (PC #2) suggest that this quantity may play a significant but secondary role. As such, the results presented here clarify the relationship between generalized principle components and fundamental sensing materials properties thereby suggesting the pathway toward improved multicomponent gas speciation through sensor layer engineering. Furthermore, the work presented represents a significant step toward the ultimate objective of optical waveguide sensors integrated with multivariate data analytics for multiparameter monitoring with a single sensor element.

47 OTHER INSTRUMENTATION↗

Composition-Preserving Extraction and Characterization of Biomass Extrinsic and Intrinsic Inorganic Compounds

The inorganic content of biomass impairs size reduction tool life and the conversion process. Conventional ash extraction relies on furnace combustion that inevitably alters the inorganic compounds due to oxidation and decomposition. This study developed composition-preserving methods for extracting and analyzing extrinsic and intrinsic inorganic compounds. Comprehensive characterization was carried out on selected biomass feedstocks, including corn stover, pine residue, and pine anatomical fractions, to reveal their inorganic species and morphology. The extrinsic inorganic compounds were found to be dominated by quartz, along with other minor minerals, such as albite, microcline, and gehlenite, and have particle sizes ranging from tens to hundreds of micrometers. Among the pine anatomical fractions, the needles contain the highest intrinsic silicon content while the bark trapped the most extrinsic minerals. By correlation of the total ash and extrinsic inorganic contents to the wear behavior, both the extrinsic and intrinsic inorganic compounds were concluded to have made significant contributions to the wear process. Finally, the results here validated a new approach to characterize inorganic compounds in biomass and provided fundamental insights for their potential impact on preprocessing tool wear.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multivariate Drought Monitoring, Propagation, and Projection Using Bias-Corrected General Circulation Models

Understanding how droughts are characterized, propagated, and projected, particularly multivariate droughts, is necessary to explain the variability and changes in drought characteristics. This study aims to understand multimodel global drought monitoring, propagation, and projection by utilizing a multivariate standardized drought index (MSDI) during the historical (1959–2014) and future (2045–2100) periods under two socioeconomic pathways SSPs (370 and 585), derived from the bias-corrected Coupled Model Intercomparison Project Phase 6 (CMIP6). Based on the energy metrics, the multivariate bias correction method outperformed other techniques in correcting the biases in the CMIP6 drought representation. The drought indicators demonstrate distinct categories for meteorological, hydrological, and multivariate droughts. There were significant high cross correlations between Heatwave Total Length (HWTL) and MSDI in Africa and South America for all lagged times. Europe and North America generally saw the maximum MSDI drought duration (228 months) during the historical period. For future projections, Africa recorded the maximum drought duration (197 months), while Europe witnessed the minimum drought duration for SSP 370 (171 months), and North America (149 months) for SSP 585. Furthermore, during the historical period in tropical Africa, the propagation of meteorological to hydrological drought was slower during the wet months than during the dry months. Under the SSP 370 future projection, there was a shift in the long period of meteorological-hydrological propagation from the middle and late wet months to the beginning of the wet months in tropical Africa. Therefore, tracking and projecting drought characteristics is vital for understanding the risk of drought-related consequences.

54 ENVIRONMENTAL SCIENCES↗

Multireference diffusion Monte Carlo reaches 2D materials

Abstract Quantum confinement in 2D materials strongly enhances electronic correlation effects. Therefore, predicting the properties of these unique materials, with both a high level of accuracy and computational efficiency, without relying on adjustable parameters or functionals, remains an outstanding theoretical challenge. The majority of theoretical studies are based on the approximations of density functional theory (DFT). The reliability of DFT predictions are heavily dependent on the choice of an approximated exchange-correlation functional. Here, we estimate the magnitude of impact of correlation on the total energy for the quintessential 2D material, graphene, by performing and comparing state-of-the-art selected CI and quantum Monte Carlo extrapolated calculations for a single unit cell at the$$\Gamma$$point. We demonstrate that Self-Healing Diffusion Monte Carlo (SHDMC) obtains a very compact, but high-quality wavefunction for this system that lacks the strong basis set dependence displayed by state of the art quantum chemistry methods. The SHDMC wavefunction is of higher quality compared to that obtained from sCI, in the same orbital basis, while being$$\sim$$ 1000 times smaller in terms of determinant count compared to sCI. We also demonstrate that extrapolating SHDMC results to the infinite determinant limit compares extremely well with complete basis set extrapolated sCI. Our work paves the way for future validation of SHDMC applied to challenging 2D materials.

Science & Technology - Other Topics↗