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DOE OSTI2024

PVDeg: Development of a Streamlined Tool for PV Degradation Modeling

The photovoltaic (PV) industry constantly aims for lower costs, higher-efficiency cells, and improved module designs. These trends lead to using new materials, designs, and manufacturing processes, resulting in a continually changing technological landscape. These changes can potentially introduce new, unknown degradation mechanisms and failure modes that are difficult to diagnose, analyze, test, and model. This introduces uncertainty into the expected lifetime of PV modules of 25 to 50 years. research efforts aim to achieve this while keeping performance degradation at a minimum for decades. This puts considerable pressure on improving the accuracy of long-term durability and reliability assessments. There is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. Because the core of this type of analysis involves calculations that are complicated but ubiquitous for many degradation processes, an enhanced predictive modeling framework will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this work, we present an online tool that can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. The tool will simplify many of the routine computational operations that are common to many degradation studies. The prediction tool will be built modular and published as open source, enabling users to expand on the existing framework. This repository will contain various degradation models and material parameters suitable for the reliability and durability assessment of materials and components deployed outdoors.

degradation↗

DOE OSTI2020

In situ reductive dissolution to remove Iodine-129 from aquifer sediments

The use of an aqueous reductant (Na-dithionite) with pH buffer (K-carbonate, pH 12) was evaluated in this laboratory study as a potential remedial approach for removing Fe oxide associated iodine and enhancing pump-and-treat extraction from iodine-contaminated sediments in the unconfined aquifer in the 200 West Area of the Hanford site. X-ray fluorescence data of untreated sediment indicated that iodine was largely associated with Fe (i.e., incorporated into Fe oxides), however, XANES data was inconclusive as to valence state. During groundwater leaching, aqueous and adsorbed iodine was quickly released, then additional iodine was slowly released potentially from dissolution of one or more surface phases. The Na-dithionite treatment removed greater iodine mass (2.9x) at a faster rate (1 to 4 orders of magnitude) compared to leaching with groundwater alone. Iron extractions for untreated and treated sediments showed a decrease in Fe(III)-oxides, which likely released iodine to aqueous solution. Solid phase inorganic carbon and aqueous Ca and Mg analysis further confirmed that significant calcite dissolution did not occur in these experiments meaning these phases did not release significant iodine. Although it was expected that, after treatment, 127 I concentrations would eventually be lower than untreated sediments, leaching experiments showed continued, elevated iodine concentrations for treated samples over 750 hours. Stop flow events during 1-D column leaching suggested that some iodide precipitated within the first few pore volumes. In the survey of metals during leaching, some silver was detected which could have been solubilized by the elevated pH of initial Na-dithionite injection. Then, silver (or other metals) could have subsequently precipitated with iodide during the initial stop flow event forming a slowly dissolving source. Although significantly greater iodine is removed with treatment, the long-term leaching needs to be investigated further as it may limit dithionite treatment at the field scale.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1988

Estimation of errors in the TOMS total ozone measurement during the Antarctica ozone campaign of August/September 1987

The Total Ozone Mapping Spectrometer (TOMS) instrument on the Nimbus-7 satellite provides the primary source of total ozone data for the study of total ozone in the polar regions of the earth. There are two types of instrument related errors: a slowly developing drift in the instrument calibration since the launch of the instrument in October 1978 and an increase in the measurement noise beginning April, 1984. It is estimated that by October 1987, the accumulated error in the TOMS total ozone measurement due to instrument drift is about 6 m-atm-cm. The sign of the error is such that the TOMS is slightly overpredicting the long-term decrease of the Antarctica ozone. The increase in the measurement noise is more difficult to quantify, affecting some measurements by as much as 10 D.U. and others not at all. A detailed analysis of this error and its potential impact on the studies of total ozone from TOMS will be provided. There are three categories of algorithmic errors: (1) error due the unusual shape of the ozone profile in the ozone hole; (2) error caused by very low atmospheric temperatures in the ozone hole affecting the ozone absorption cross-sections at the TOMS wavelengths; and (3) errors resulting from occasionally thick stratospheric clouds that sometimes reach to 20 km in the ozone hole.

Bhartia, P. K.↗

NASA NTRS2012

Possible Detection of an Emission Cyclotron Resonance Scattering Feature from the Accretion-Powered Pulsar 4U 1626-67

We present analysis of 4U 1626-67, a 7.7 s pulsar in a low-mass X-ray binary system, observed with the hard X-ray detector of the Japanese X-ray satellite Suzaku in 2006 March for a net exposure of ~88 ks. The source was detected at an average 10-60 keY flux of approx 4 x 10-10 erg / sq cm/ s. The phase-averaged spectrum is reproduced well by combining a negative and positive power-law times exponential cutoff (NPEX) model modified at approx 37 keY by a cyclotron resonance scattering feature (CRSF). The phase-resolved analysis shows that the spectra at the bright phases are well fit by the NPEX with CRSF model. On the other hand. the spectrum in the dim phase lacks the NPEX high-energy cutoff component, and the CRSF can be reproduced by either an emission or an absorption profile. When fitting the dim phase spectrum with the NPEX plus Gaussian model. we find that the feature is better described in terms of an emission rather than an absorption profile. The statistical significance of this result, evaluated by means of an F test, is between 2.91 x 10(exp -3) and 1.53 x 10(exp -5), taking into account the systematic errors in the background evaluation of HXD-PIN. We find that the emission profile is more feasible than the absorption one for comparing the physical parameters in other phases. Therefore, we have possibly detected an emission line at the cyclotron resonance energy in the dim phase.

Iwakiri, W. B.↗

NASA NTRS1993

Investigation of alternate power source for Space Shuttle Orbiter hydraulic system

This investigation consists of a short-term feasibility study to determine whether or not an alternate electrical power source would trade favorably from a performance, reliability, safety, operation, and weight standpoint in replacing the current auxiliary power unit subsystems with its attendant components (water spray boiler, hydrazine fuel and tanks, feed and vent lines, controls, etc.), operating under current flight rules. Results of this feasibility study are used to develop recommendations for the next step (e.g., to determine if such an alternate electrical power source would show an advantage given that the current operational flight mode of the system could be modified in such a way as not to constrain the operational capability and safety of the vehicle). However, this next step is not within the scope of this investigation. This study does not include a cost analysis, nor does it include investigation of the integration aspects involved in such a trade, except in a qualitative sense for the determination of concept feasibility.

Simon, William E.↗

NASA NTRS2006

Use of In Situ Cloud Condensation Nuclei, Extinction, and Aerosol Size Distribution Measurements to Test a Method for Retrieving Cloud Condensation Nuclei Profiles From Surface Measurements

If the aerosol composition and size distribution below cloud are uniform, the vertical profile of cloud condensation nuclei (CCN) concentration can be retrieved entirely from surface measurements of CCN concentration and particle humidification function and surface-based retrievals of relative humidity and aerosol extinction or backscatter. This provides the potential for long-term measurements of CCN concentrations near cloud base. We have used a combination of aircraft, surface in situ, and surface remote sensing measurements to test various aspects of the retrieval scheme. Our analysis leads us to the following conclusions. The retrieval works better for supersaturations of 0.1% than for 1% because CCN concentrations at 0.1% are controlled by the same particles that control extinction and backscatter. If in situ measurements of extinction are used, the retrieval explains a majority of the CCN variance at high supersaturation for at least two and perhaps five of the eight flights examined. The retrieval of the vertical profile of the humidification factor is not the major limitation of the CCN retrieval scheme. Vertical structure in the aerosol size distribution and composition is the dominant source of error in the CCN retrieval, but this vertical structure is difficult to measure from remote sensing at visible wavelengths.

Ghan, Stephen J.↗

NASA NTRS1991

Chaos in the sunspot cycle - Analysis and prediction

The variability of solar activity over long time scales, given semiquantitatively by measurements of sunspot numbers, is examined as a nonlinear dynamical system. First, a discussion of the data set used and the techniques utilized to reduce the noise and capture the long-term dynamics inherent in the data is presented. Subsequently, an attractor is reconstructed from the data set using the method of time delays. The reconstructed attractor is then used to determine both the dimension of the underlying system and also the largest Lyapunov exponent, which together indicate that the sunspot cycle is indeed chaotic and also low dimensional. In addition, recent techniques of exploiting chaotic dynamics to provide accurate, short-term predictions are utilized in order to improve upon current forecasting methods and also to place theoretical limits on predictability extent. The results are compared to chaotic solar-dynamo models as a possible physically motivated source of this chaotic behavior.

Mundt, Michael D.↗

NASA NTRS1974

Propagation of waves along an impedance boundary

A theoretical analysis of the scalar wave field due to a point source above a plane impedance boundary is presented. A surface wave is found to be an essential component of the total wave field. It is shown that, as a result of ducting of energy by the surface wave, the amplitude of the total wave near the boundary can be greater than it would be if the boundary were perfectly reflecting. Asymptotic results, valid near the boundary, are obtained both for the case of finite impedance (the soft-boundary case) and for the limiting case in which the impedance becomes infinite (the hard-boundary case). In the latter, the wave amplitude in the farfield decreases essentially inversely as the horizontal propagation distance; in the former (if the surface-wave term is neglected), it decreases inversely as the square of the horizontal propagation distance.

Wenzel, A. R.↗

NASA NTRS1978

The importance of quadrupole sources in prediction of transonic tip speed propeller noise

A theoretical analysis is presented for the harmonic noise of high speed, open rotors. Far field acoustic radiation equations based on the Ffowcs-Williams/Hawkings theory are derived for a static rotor with thin blades and zero lift. Near the plane of rotation, the dominant sources are the volume displacement and the rho U(2) quadrupole, where u is the disturbance velocity component in the direction blade motion. These sources are compared in both the time domain and the frequency domain using two dimensional airfoil theories valid in the subsonic, transonic, and supersonic speed ranges. For nonlifting parabolic arc blades, the two sources are equally important at speeds between the section critical Mach number and a Mach number of one. However, for moderately subsonic or fully supersonic flow over thin blade sections, the quadrupole term is negligible. It is concluded for thin blades that significant quadrupole noise radiation is strictly a transonic phenomenon and that it can be suppressed with blade sweep. Noise calculations are presented for two rotors, one simulating a helicopter main rotor and the other a model propeller. For the latter, agreement with test data was substantially improved by including the quadrupole source term.

Hanson, D. B.↗

NASA NTRS2010

Cosmic Infrared Background Fluctuations in Deep Spitzer Infrared Array Camera Images: Data Processing and Analysis

This paper provides a detailed description of the data reduction and analysis procedures that have been employed in our previous studies of spatial fluctuation of the cosmic infrared background (CIB) using deep Spitzer Infrared Array Camera observations. The self-calibration we apply removes a strong instrumental signal from the fluctuations that would otherwise corrupt the results. The procedures and results for masking bright sources and modeling faint sources down to levels set by the instrumental noise are presented. Various tests are performed to demonstrate that the resulting power spectra of these fields are not dominated by instrumental or procedural effects. These tests indicate that the large-scale ([greater, similar]30') fluctuations that remain in the deepest fields are not directly related to the galaxies that are bright enough to be individually detected. We provide the parameterization of these power spectra in terms of separate instrument noise, shot noise, and power-law components. We discuss the relationship between fluctuations measured at different wavelengths and depths, and the relations between constraints on the mean intensity of the CIB and its fluctuation spectrum. Consistent with growing evidence that the [approx]1-5 [mu]m mean intensity of the CIB may not be as far above the integrated emission of resolved galaxies as has been reported in some analyses of DIRBE and IRTS observations, our measurements of spatial fluctuations of the CIB intensity indicate the mean emission from the objects producing the fluctuations is quite low ([greater, similar]1 nW m-2 sr-1 at 3-5 [mu]m), and thus consistent with current [gamma]-ray absorption constraints. The source of the fluctuations may be high-z Population III objects, or a more local component of very low luminosity objects with clustering properties that differ from the resolved galaxies. Finally, we discuss the prospects of the upcoming space-based surveys to directly measure the epochs inhabited by the populations producing these source-subtracted CIB fluctuations, and to isolate the individual fluxes of these populations.

Arendt, Richard↗

NASA NTRS2011

The 5 Hour Pulse Period and Broadband Spectrum of the Symbiotic X-Ray Binary 3A 1954+319

We present an analysis of the highly variable accreting X-ray pulsar 3A 1954+319 using 2005-2009 monitoring data obtained with INTEGRAL and Swift. This considerably extends the pulse period history and covers flaring episodes in 2005 and 2008. In 2006 the source was identified as one of only a few known symbiotic X-ray binaries, Le" systems composed of a neutron star accreting from the inhomogeneous medium around an M-giant star. The extremely long pulse period of approximately 5.3 h is directly visible in the 2008 INTEGRAL-ISGRI outburst light curve. The pulse profile is double peaked and not significantly energy dependent. During the outburst a strong spin-up of -1.8 x 10(exp -4) h h(exp -1) occurred. Between 2005 and 2008 a long term spin-down trend of 2.1 x 10(exp -5) h h(exp -1) was observed for the first time for this source. The 3-80 keV pulse peak spectrum of 3A 1954+319 during the 2008 flare could be well described by a thermal Comptonization model. We interpret the results within the framework of a recently developed quasi-spherical accretion model for symbiotic X-ray binaries.

Marcu, Diana M.↗

NASA NTRS2015

A Priori Analysis of a Compressible Flamelet Model using RANS Data for a Dual-Mode Scramjet Combustor

In an effort to make large eddy simulation of hydrocarbon-fueled scramjet combustors more computationally accessible using realistic chemical reaction mechanisms, a compressible flamelet/progress variable (FPV) model was proposed that extends current FPV model formulations to high-speed, compressible flows. Development of this model relied on observations garnered from an a priori analysis of the Reynolds-Averaged Navier-Stokes (RANS) data obtained for the Hypersonic International Flight Research and Experimentation (HI-FiRE) dual-mode scramjet combustor. The RANS data were obtained using a reduced chemical mechanism for the combustion of a JP-7 surrogate and were validated using avail- able experimental data. These RANS data were then post-processed to obtain, in an a priori fashion, the scalar fields corresponding to an FPV-based modeling approach. In the current work, in addition to the proposed compressible flamelet model, a standard incompressible FPV model was also considered. Several candidate progress variables were investigated for their ability to recover static temperature and major and minor product species. The effects of pressure and temperature on the tabulated progress variable source term were characterized, and model coupling terms embedded in the Reynolds- averaged Navier-Stokes equations were studied. Finally, results for the novel compressible flamelet/progress variable model were presented to demonstrate the improvement attained by modeling the effects of pressure and flamelet boundary conditions on the combustion.

Quinlan, Jesse R.↗

DOE OSTI2021

Towards sustainable production and utilization of plant-biomass-based nanomaterials: a review and analysis of recent developments

Abstract Plant-biomass-based nanomaterials have attracted great interest recently for their potential to replace petroleum-sourced polymeric materials for sustained economic development. However, challenges associated with sustainable production of lignocellulosic nanoscale polymeric materials (NPMs) need to be addressed. Producing materials from lignocellulosic biomass is a value-added proposition compared with fuel-centric approach. This report focuses on recent progress made in understanding NPMs—specifically lignin nanoparticles (LNPs) and cellulosic nanomaterials (CNMs)—and their sustainable production. Special attention is focused on understanding key issues in nano-level deconstruction of cell walls and utilization of key properties of the resultant NPMs to allow flexibility in production to promote sustainability. Specifically, suitable processes for producing LNPs and their potential for scaled-up production, along with the resultant LNP properties and prospective applications, are discussed. In the case of CNMs, terminologies such as cellulose nanocrystals (CNCs) and cellulose nanofibrils (CNFs) used in the literature are examined. The term cellulose nano-whiskers (CNWs) is used here to describe a class of CNMs that has a morphology similar to CNCs but without specifying its crystallinity, because most applications of CNCs do not need its crystalline characteristic. Additionally, progress in enzymatic processing and drying of NPMs is also summarized. Finally, the report provides some perspective of future research that is likely to result in commercialization of plant-based NPMs.

09 BIOMASS FUELS↗

NASA NTRS1987

High resolution infrared spectroscopy from space: A preliminary report on the results of the Atmospheric Trace Molecule Spectroscopy (ATMOS) experiment on Spacelab 3

The ATMOS (Atmospheric Trace Molecule Spectroscopy) experiment has the broad purpose of investigating the physical structure, chemistry, and dynamics of the upper atmosphere through the study of the distributions of the neutral minor and trace constituents and their seasonal and long-term variations. The technique used is high-resolution infrared absorption spectroscopy using the Sun as the radiation source, observing the changes in the transmission of the atmosphere as the line-of-sight from the Sun to the spacecraft penetrates the atmosphere close to the Earth's limb at sunrise and sunset. During these periods, interferograms are generated at the rate of one each second which yield, when transformed, high resolution spectra covering the 2.2 to 16 micron region of the infrared. Twenty such occultations were recorded during the Spacelab 3 flight, which have produced concentration profiles for a large number of minor and trace upper atmospheric species in both the Northern and Southern Hemispheres. Several of these species have not previously been observed in spectroscopic data. The data reduction and analysis procedures used following the flight are discussed; a number of examples of the spectra obtained are shown, and a bar graph of the species detected thus far in the analysis is given which shows the altitude ranges for which concentration profiles were retrieved.

Farmer, Crofton B.↗

NASA NTRS1993

Computational mechanics needs study

In order to assess the needs in computational mechanics over the next decade, we formulated a questionnaire and contacted computational mechanics researchers and users in industry, government, and academia. As expected, we found a wide variety of computational mechanics usage and research. This report outlines the activity discussed with those contacts, as well as that in our own organizations. It should be noted that most of the contacts were made before the recent decline of the defense industry. Therefore, areas which are strongly defense-oriented may decrease in relative importance. In order to facilitate updating of this study, names of a few key researchers in each area are included as starting points for future literature surveys. These lists of names are not intended to represent those persons doing the best research in that area, nor are they intended to be comprehensive. They are, as previously stated, offered as starting points for future literature searches. Overall, there is currently a broad activity in computational mechanics in this country, with the breadth and depth increasing as more sophisticated software and faster computers become more available. The needs and desires of the workers in this field are as diverse as their background and organizational products. There seems to be some degree of software development in any organization (although the level of activity is highly variable from one organization to another) which has any research component in its mission. It seems, however, that there is considerable use of commercial software in almost all organizations. In most industrial research organizations, it appears that very little actual software development is contracted out, but that most is done in-house, using a mixture of funding sources. Government agencies vary widely in the ratio of in-house to out-house ratio. There is a considerable amount of experimental verification in most, but not all, organizations. Generally, the amount of experimental verification is more than we expected. Of all the survey contacts, one or two believe that the resources they are allocated are sufficient, but most do not. Some believe they have only half the resources they need. Some see their resource deficits as short-term, while others see it as a trend which will continue or perhaps worsen. The pessimism is stronger in the defense and aerospace industry. When considering only the nonlinear development efforts, there appears to be an even mix of geometric and material nonlinearity. There is not much particular emphasis in linear analysis unless it is in extension of current analysis capabilities to larger problems. The primary exception is concern about modeling of composites, where proven methodologies have trailed element and computer hardware development. Most of the people we spoke to use finite element techniques, but there is some finite difference and boundary element work ongoing. There is also some interest in multiple methods. Coupling of finite elements and boundary elements appears to be of high interest, since the two analysis types are complementary.

Griffin, O. Hayden, Jr.↗

DOE OSTI2023

A gated graph transformer for protein complex structure quality assessment and its performance in CASP15

Abstract Motivation Proteins interact to form complexes to carry out essential biological functions. Computational methods such as AlphaFold-multimer have been developed to predict the quaternary structures of protein complexes. An important yet largely unsolved challenge in protein complex structure prediction is to accurately estimate the quality of predicted protein complex structures without any knowledge of the corresponding native structures. Such estimations can then be used to select high-quality predicted complex structures to facilitate biomedical research such as protein function analysis and drug discovery. Results In this work, we introduce a new gated neighborhood-modulating graph transformer to predict the quality of 3D protein complex structures. It incorporates node and edge gates within a graph transformer framework to control information flow during graph message passing. We trained, evaluated and tested the method (called DProQA) on newly-curated protein complex datasets before the 15th Critical Assessment of Techniques for Protein Structure Prediction (CASP15) and then blindly tested it in the 2022 CASP15 experiment. The method was ranked 3rd among the single-model quality assessment methods in CASP15 in terms of the ranking loss of TM-score on 36 complex targets. The rigorous internal and external experiments demonstrate that DProQA is effective in ranking protein complex structures. Availability and implementation The source code, data, and pre-trained models are available at https://github.com/jianlin-cheng/DProQA.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Cost Analysis Framework for Comparing AC and DC Design Alternatives for Building Electrical Distribution Systems

In recent years, in response to the changing nature of building load, direct current (DC) distribution systems for buildings have been proposed as alternatives to traditional alternating current (AC) systems. DC distribution offers a closer match to the types of loads and generation sources found in modern buildings, the majority of which use DC electricity internally either natively or as a power conditioning stage. The proposed benefits of DC distribution compared to AC distribution within buildings include higher efficiency, lower installation cost, lower operating cost, higher reliability, improved communication and control, and simplicity. Most recent DC distribution research has focused on quantifying the efficiency advantage of DC distribution over AC distribution. However, energy savings alone do not guarantee cost savings; a more complete cost accounting is required to establish financial benefit. This report provides a framework for cost analysis and comparison of building electrical distribution systems, including common variants for both AC and DC distribution systems. The framework includes all major cost categories, including up-front costs (capital, installation labor, soft costs) and long-term costs (energy, operations and maintenance).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1994

Structural analysis of airborne flux estimates over a region

Aircraft-based observations of turbulence fields of velocity, moisture, and temperature are used to study coherent turbulent structures that dominate turbulent transfer of moisture and heat above three different eco-systems. Flux traces are defragmented, to reconstruct the presumed full size (along the sampled transect) of these structures, and flux traces are simplified by elimination of those that contribute negligibly to the flux estimate. Structures are analyzed in terms of size, spatial distribution, and contribution to the flux, in the four 'quadrant' modes of eddy-covariance transfer (excess up/down and deficit up/down). The effect of nonlinear detrending of moisture and temperature data on this 'structural analysis,' over surfaces with heterogeneous surface wetness, is also examined. Results over grassland, wetland, and moist and dry agricultural land, show that nonlinear detrending may provide a more physically realistic description of structures. Significant differences are observed between structure size and associated relative flux contribution, between moist and dry areas, with smaller structures playing a more important role over the moist areas. Structure size generally increases with height, as spatial reorganization from smaller structures into larger ones takes place. This coincides with a gradual loss of surface 'signature' (position and clustering of plumes above localized source areas). The data are expected to provide a basis for an eventual statistical description of boundary-layer transfer events , and help to interpret the link between boundary-layer transfer and hydrological surface conditions.

Caramori, Paulo↗