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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

A one-pot, solid-state route for realizing highly visible light active Na-doped gC{sub 3}N{sub 4} photocatalysts

The visible light photocatalytic activity of graphitic carbon nitride (gC{sub 3}N{sub 4}), a promising metal-free photocatalytic material, is rather low, and is not as good as expected. Herein, to realize improved photocatalytic activity, sodium-doped gC{sub 3}N{sub 4} (Na-gC{sub 3}N{sub 4}) is prepared through a novel solid-state process based on the thermal polycondensation of urea in the presence of sodium chloride and ammonium chloride. The proposed solid-state process is simple, requires no solvent, and provides a general route for rapid and large-scale synthesis of metal-doped gC{sub 3}N{sub 4}. The Na species exist in + 1 oxidation state and bind N atoms in the nitride ring of gC{sub 3}N{sub 4}. The photocatalytic activity improvement of gC{sub 3}N{sub 4} for the mineralization of 17α-ethynylestradiol (EE2) under visible light is seen after the Na doping. The improved photocatalytic activity is due to increased absorption of light, increased separation of charge carriers, stronger oxidation ability of valance band holes, and increased specific surface area. The typical photocatalytic activity of 0.6 wt% Na-gC{sub 3}N{sub 4} for the EE2 mineralization with an initial EE2 concentration of 1 mg/L and a catalyst concentration of 1 g/L is 95.7% within 2 h of visible light irradiation. Under identical experimental conditions, the EE2 mineralization by pristine gC{sub 3}N{sub 4} is only 23.5%. - Graphical abstract: Highly visible light active Na-gC{sub 3}N{sub 4} photocatalysts were simply synthesized through a novel one-pot route based on the thermal polycondensation of urea. The doped Na species plays a critical role in improving the photocatalytic activity. Display Omitted - Highlights: • A new solid-state route is introduced to obtain visible light active Na-doped gC{sub 3}N{sub 4}. • The proposed synthesis route is fast, simple, and highly scalable. • Na doping leads to improved light absorption capability. • Na doping leads to improved separation of charge carriers. • Na doping leads to improved photocatalytic activity under visible light.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Open porous BiVO{sub 4} nanomaterials: Electronspinning fabrication and enhanced visible light photocatalytic activity

Highlights: • BiVO{sub 4} nanofibers were successfully fabricated by electrospinning method. • PVP was used to adjust the viscosity and increase spinnability of the electrospinning sol. • BiVO{sub 4} nanofibers were used for the degradation of MB. • Compared to the submicron sized BiVO4, BiVO{sub 4} nanofibers show superior photocatalytic activity. - Abstract: Witnessed by X-ray powder diffraction (XRD), Raman, scanning electron microscopy (SEM) and transmission electron microscopy (TEM) studies, BiVO{sub 4} nanofibers and porous nanostructures were successfully fabricated by electrospinning method using NH{sub 4}VO{sub 3} and Bi(NO{sub 3}){sub 3} as starting materials. Polyvinylpyrrolidinone (PVP) was used to tune the viscosity and spinnability of the electrospinning sol. The slow decomposition and combustion of PVP matrix prevented rapid crystal growth of BiVO{sub 4} nanostructures leading to considerably small crystallite size (approximately 19.1–28.3 nm) with less surface defects after two hours calcination at varying temperatures. This paid great tributes to the superior visible light photocatalytic activity when compared to the submicron sized BiVO{sub 4} prepared in the absence of PVP.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Statistical analysis of the fluctuations of an initial-state model with independently distributed hot spots

Abstract We determine the uncorrelated modes that characterize the fluctuations in a semi-realistic model for the initial state of high-energy nuclear collisions, consisting of hot spots whose positions are distributed independently. Varying the number of hot spots, their size, and the weights with which they contribute to the initial state, we find that the parameter that has the largest influence on the relative importance of the fluctuation modes is the source size, with more extended hot spots leading to a more marked predominance of the principal modes.

Borghini, Nicolas↗
DOE OSTI2021

Evaluation of Programming Language-Aware Diffs for Improving Developer Productivity

As the number of supported platforms for SNL software increases, so do the testing requirements. This increases the total time spent between when a developer submits code for testing, and when tests are completed. This in turn leads developers to hold off submitting code for testing, meaning that when code is ready for testing there's a lot more of it. This increases the likelihood of merge conflicts which the developer must resolve by hand -- because someone else touched the files near the lines the developer touched. Current text-based diff tools often have trouble resolving conflicts in these cases. Work in Europe and Japan has demonstrated that, using programming language aware diff tools (e.g., using the abstract syntax tree (AST) a compiler might generate) can reduce the manual labor necessary to resolve merge conflicts. These techniques can detect code blocks which have moved, as opposed than current text-based diff tools, which only detect insertions / deletions of text blocks. In this study, we evaluate one such tool, GumTree, and see how effective it is as a replacement for traditional text-based diff approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

One Galaxy Sample to Rule Them All: Halo Occupation Distribution Modeling of DES Year 3 Source Galaxies

Abstract For the joint analysis of second-order weak-lensing and galaxy clustering statistics, so-called 3 × 2 analyses, the selection and characterization of optimal galaxy samples is a major area of research. One promising choice is to use the same galaxy sample as lenses and sources, which reduces the systematics parameter space that describes the uncertainties related to galaxy samples. Such a “lens-equal-source” analysis significantly improves the self-calibration of photo- z systematics, leading to improved cosmological constraints. With the aim of enabling a lens-equal-source analysis on small scales, we investigate the halo–galaxy connection of DES Year 3 source galaxies. We develop a technique to construct mock source galaxy populations by matching COSMOS/UltraVISTA photometry to U niverse M achine galaxies. These mocks predict a source halo occupation distribution (HOD) that exhibits significant redshift evolution, nontrivial central incompleteness, and galaxy assembly bias. We produce multiple realizations of mock source galaxies drawn from the U niverse M achine posterior, with added uncertainties in the measured Dark Energy Survey photometry and galaxy shapes. We fit a modified HOD formalism to these realizations to produce priors on the galaxy–halo connection for cosmological analyses. We additionally train an emulator that predicts this HOD to ∼2% accuracy from redshift z = 0.1−1.3 that models the dependence of this HOD on (1) observational uncertainties in galaxy size and photometry and (2) uncertainties in the U niverse M achine predictions.

Salcedo, Andrés N. (ORCID:000000031420527X)↗
DOE OSTI2022

Highly supercooled riming and unusual triple-frequency radar signatures over McMurdo Station, Antarctica

Abstract. Riming of ice crystals by supercooled water droplets is an efficient ice growth process, but its basic properties are still poorly known. While it has been shown to contribute significantly to surface precipitation at mid-latitudes, little is known about its occurrence at high latitudes. In Antarctica, two competing effects can influence the occurrence of riming: (i) the scarcity of supercooled liquid water clouds due to the extremely low tropospheric temperatures and (ii) the low aerosol concentration, which may lead to the formation of fewer and larger supercooled drops potentially resulting in an enhanced riming efficiency. In this work, by exploiting the deployment of an unprecedented number of multiwavelength remote sensing systems (including triple-frequency radar measurements) in West Antarctica, during the Atmospheric Radiation Measurements West Antarctic Radiation Experiment (AWARE) field campaign, we evaluate the riming incidence at McMurdo Station and find that riming occurs at much lower temperatures when compared to previous results in the mid-latitudes. This suggests the possible occurrence of a common atmospheric state over Antarctica that includes a rather stable atmosphere inhibiting turbulent mixing, and a high riming efficiency driven by large cloud droplets. We then focus on a peculiar case study featuring a persistent layer with a particularly pronounced riming signature in triple-frequency radar data but only a relatively modest amount of supercooled liquid water. In-depth analysis of the radar observations suggests that such signatures can only be explained by the combined effects of moderately rimed aggregates or similarly shaped florid polycrystals and a narrow particle size distribution (PSD). Simulations of this case study performed with a one-dimensional bin model indicate that similar triple-frequency radar observations can be reproduced when narrow PSDs are simulated. Such narrow PSDs can in turn be explained by two key factors: (i) the presence of a shallow homogeneous droplet or humidified aerosol freezing layer aloft seeding an underlying supercooled liquid layer, and (ii) the absence of turbulent mixing throughout a stable polar atmosphere that sustains narrow PSDs, as hydrometeors grow from the nucleation region aloft to ice particles of several millimeters in size, by vapor deposition and then riming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Compaction of crushed salt for safe containment – overview of the KOMPASS project

Abstract. In Germany, rock salt formations are possible host rock candidates for a repository for heat-emitting radioactive waste. The safety concept of a repository in salt bases on a multibarrier system consisting mainly of the geological barrier salt and geotechnical seals ensuring safe containment. Crushed salt will be used for backfilling of cavities and sealing measures in drifts and shafts due to its favourable properties and its easy availability (mined-off material). The creep of the rock salt leads to crushed salt compaction with time. Thereby, the crushed salts' porosity is reduced from the initial porosity of 30 %–40 % to a value comparable to the porosity of undisturbed rock salt (≤1 %). In such low porosity ranges, technical impermeability is assumed. The compaction behaviour of crushed salt is rather complex and involves several coupled THM processes (Kröhn et al., 2017; Hansen et al., 2014). It is influenced by internal properties like humidity and grain size distribution, as well as boundary conditions such as temperature, compaction rate or stress state. However, the current process understanding has some important gaps referring to the material behaviour, experimental database and numerical modelling. It needs to be extended and validated, especially in the low porosity range. The objective of the KOMPASS project was development of methods and strategies for the reduction of deficits in the prediction of crushed salt compaction leading to an improvement of the prognosis quality. Key results are as follows (KOMPASS Phase 1, 2020): selection of an easily available and permanently producible synthetic crushed salt mixture, acting as a reference material for generic investigations; development and proof of different techniques for producing pre-compacted samples for further investigations; establishment of a tool of microstructure investigation methods to demonstrate the comparability of grain structures of pre-compacted samples with in-situ compacted material for future investigations; execution of various laboratory experiments using pre-compacted samples, e.g. long-term creep tests which deliver reliable information about time- and stress-dependent compaction behaviour; development of a complex experimental investigation strategy to derive necessary model parameters considering individual functional dependencies. Its technical feasibility was successfully verified; benchmarking with various existing numerical models using datasets from three different triaxial long-term tests. The result was not entirely satisfactory; however, the number of influencing factors is small and further validation work has to be done. Overall, the KOMPASS project has made significant progress in the approaches to solving the outstanding question, building the basis for further investigations.

Friedenberg, Larissa↗
NASA NTRS2011

Theoretical Near-IR Spectra for Surface Abundance Studies of Massive Stars

We present initial results of a study of abundance and mass loss properties of O-type stars based on theoretical near-IR spectra computed with state-of-the-art stellar atmosphere models. The James Webb Space Telescope (JWST) will be a powerful tool to obtain high signal-to-noise ratio near-IR (1-5 micron) spectra of massive stars in different environments of local galaxies. Our goal is to analyze model near-IR spectra corresponding to those expected from NIRspec on JWST in order to map the wind properties and surface composition across the parameter range of 0 stars and to determine projected rotational velocities. As a massive star evolves, internal coupling, related mixing, and mass loss impact its intrinsic rotation rate. These three parameters form an intricate loop, where enhanced rotation leads to more mixing which in turn changes the mass loss rate, the latter thus affecting the rotation rate. Since the effects of rotation are expected to be much more pronounced at low metallicity, we pay special attention to models for massive stars in the the Small Magellanic Cloud. This galaxy provides a unique opportunity to probe stellar evolution, and the feedback of massive stars on galactic evol.ution in conditions similar to the epoch of maximal star formation. Plain-Language Abstract: We present initial results of a study of abundance and mass loss properties of massive stars based on theoretical near-infrared (1-5 micron) spectra computed with state-of-the-art stellar atmosphere models. This study is to prepare for observations by the James Webb Space Telescope.

Sonneborn, George↗
NASA NTRS1994

(abstract) PV Technology for Low Intensity, Low Temperature (LILT) Applications

As a result of the recent NASA emphasis on smaller, lower cost space missions, PV is now being considered for a number of missions operating at solar distances of 3 AU or greater. In the past, many of these missions would utilize an RTG (radioisotope thermoelectric generator). Historically, silicon solar cell behavior at these distances has been compromised by a number of mechanisms including shunting, nonohmic back contacts, and the 'broken knee' curve shape. The former two can usually be neglected for modern silicon cells, but the latter has not been eliminated. This problem has been identified with localized diffusion at the top contact/silicon interface which leads to structural changes at the local junction. This is believed to create a resistive metal-semiconductor-like (MSL) interface in parallel with the junction which results in the characteristic forms of the LILT (low intensity, low temperature) 'broken knee'. This paper discusses a TaSiN contact barrier that will prevent the MSL structure in the junction.

spacecraft power LILT low temperature low intensit↗
DOE OSTI2019

Low‐Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad

Abstract The position, bonding and dynamics of hydrogen atoms in the catalytic centers of proteins are essential for catalysis. The role of short hydrogen bonds in catalysis has remained highly debated and led to establishment of several distinctive geometrical arrangements of hydrogen atoms vis‐à‐vis the heavier donor and acceptor counterparts, that is, low‐barrier, single‐well or short canonical hydrogen bonds. Here we demonstrate how the position of a hydrogen atom in the catalytic triad of an aminoglycoside inactivating enzyme leads to a thirty‐fold increase in catalytic turnover. A low‐barrier hydrogen bond is present in the enzyme active site for the substrates that are turned over the best, whereas a canonical hydrogen bond is found with the least preferred substrate. This is the first comparison of these hydrogen bonds involving an identical catalytic network, while directly demonstrating how active site electrostatics adapt to the electronic nature of substrates to tune catalysis.

Kumar, Prashasti↗
DOE OSTI2015

Efficient Solid‐State Light‐Emitting CuCdS Nanocrystals Synthesized in Air

Abstract Semiconductor nanocrystals (NCs) possess high photoluminescence (PL) typically in the solution phase. In contrary, PL rapidly quenches in the solid state. Efficient solid state luminescence can be achieved by inducing a large Stokes shift. Here we report on a novel synthesis of compositionally controlled CuCdS NCs in air avoiding the usual complexity of using inert atmosphere. These NCs show long‐range color tunability over the entire visible range with a remarkable Stokes shift up to about 1.25 eV. Overcoating the NCs leads to a high solid‐state PL quantum yield (QY) of ca. 55 % measured by using an integrating sphere. Unique charge carrier recombination mechanisms have been recognized from the NCs, which are correlated to the internal NC structure probed by using extended X‐ray absorption fine structure (EXAFS) spectroscopy. EXAFS measurements show a Cu‐rich surface and Cd‐rich interior with 46 % Cu I being randomly distributed within 84 % of the NC volume creating additional transition states for PL. Color‐tunable solid‐state luminescence remains stable in air enabling fabrication of light‐emitting diodes (LEDs).

Khan, Ali Hossain↗
DOE OSTI2015

Random poly(3‐hexylthiophene‐ co ‐3‐cyanothiophene‐ co ‐3‐(2‐ethylhexyl)thiophene) copolymers with high open‐circuit voltage in polymer solar cells

ABSTRACT For the purpose of developing poly(3‐hexylthiophene) (P3HT) based copolymers with deep‐lying highest occupied molecular orbital (HOMO) levels for polymer solar cells with high open‐circuit voltage ( V oc ), we report a combined approach of random incorporation of 3‐cyanothiophene (CNT) and 3‐(2‐ethylhexyl)thiophene (EHT) units into the P3HT backbone. This strategy is designed to overcome CNT content limitations in recently reported P3HT‐CNT copolymers, where incorporation of more than 15% of CNT into the polymer backbone leads to impaired polymer solubility and raises the HOMO level. This new approach allows incorporation of a larger CNT content, reaching even lower‐lying HOMO levels. Importantly, a very low HOMO level of −5.78 eV was obtained, representing one of the lowest HOMO values for exclusively thiophene‐based polymers. Lower HOMO levels result in higher V oc and higher power conversion efficiencies (PCE) compared to the previously reported P3HT‐CNT copolymers containing only 3‐hexylthiophene and CNT units. As a result, solar cells based on P3HT‐CNT‐EHT(15:15) , which contains 70% of P3HT, 15% of CNT and 15% of EHT, yield a V oc of 0.83 V in blends with PC 61 BM while preserving high fill factor (FF) and high short‐circuit current density ( J sc ), resulting in 3.6% PCE. Additionally, we explored the effect of polymer number‐average molecular weight ( M n ) on the optoelectronic properties and solar cell performance for the example of P3HT‐CNT‐EHT(15:15). The organic photovoltaic (OPV) performance improves with polymer M n increasing from 3.4 to 6.7 to 9.6 kDa and then it declines as M n further increases to 9.9 and to 16.2 kDa. The molecular weight study highlights the importance of not only the solar cell optimization, but also the significance of individual polymer properties optimization, in order to fully explore the potential of any given polymer in OPVs. The broader ramification of this study lies in potential application of these high band gap copolymers with low‐lying HOMO level in the development of ternary blend photovoltaics as well as tandem OPV. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54 , 1526–1536

Rudenko, Andrey E.↗
DOE OSTI2017

From graphite-clay composites to graphene electrode materials: In-situ electrochemical oxidation and functionalization

Highlights: • Graphene was synthesized by electrochemical exfoliation of graphite-clay rods with different clay:graphite ratios. • In-situ electrochemical oxidation and functionalization were used in the exfoliated process. • Graphene thin-film electrodes were constructed for supercapacitors and lithium ion batteries. • This work provided a value-added way that can transform the low-purity graphite resources to graphene electrode materials. - Abstract: The development of cost- and time-effective methods to synthesize graphene materials is very urgent in order to promote its large-scale application in electrochemical energy storage devices. Herein, graphene materials were synthesized by the electrochemical exfoliation (electrochemical oxidation) of graphite-clay rods with different clay:graphite ratios in aqueous solution and in short reaction time (1 h). The dual role of electrochemical oxidation reaction was presented: (1) the electrochemical oxidation reaction facilitates the exfoliation of pencil graphite leads and in-situ forms functional groups on graphene; (2) the electrochemical oxidation reaction enhances the Faradaic reaction in supercapacitor. The in-situ electrochemical oxidation and functionalization methods can transform low purity graphite to high-value graphene electrode materials for supercapacitors and lithium ion batteries. The specific capacitances of exfoliated graphene are 20-time larger than that of graphite-clay composites. This work provided a value-added way that can transform the low-purity graphite resources to high performance graphene electrode materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Relative Roles of Low‐Level Wind Speed and Moisture in the Diurnal Cycle of Rainfall Over a Tropical Island Under Monsoonal Flows

Abstract Using satellite observations and reanalysis data, this study investigates the relative roles of low‐level wind speed and moisture content in the rainfall diurnal cycle over a tropical island influenced by monsoonal winds. Results show that the spatiotemporal characteristics of rainfall over the island are evidently influenced by the two factors. Specifically, the spatial distribution of rainfall is primarily determined by the low‐level wind speeds, while the rainfall diurnal cycle is influenced by both factors. Weaker low‐level wind speed leads to stronger and wider inland convergence and afternoon precipitation, which are mainly produced by the inland penetrating sea breeze fronts. Nighttime rainfall over the island is closely related to the inertial oscillation. Stronger nocturnal rainfall can be found with higher low‐level moisture content and stronger monsoonal winds. The multiscale interactions between the large‐scale circulation, land–sea breezes, and inertial oscillation play essential roles in modulating the rainfall over this tropical island.

Zhu, Lei↗
DOE OSTI2021

Conceptualizing Biogeochemical Reactions With an Ohm's Law Analogy

Abstract In studying problems like plant‐soil‐microbe interactions in environmental biogeochemistry and ecology, one usually has to quantify and model how substrates control the growth of, and interaction among, biological organisms (and abiotic factors, e.g., adsorptive mineral soil surfaces). To address these substrate‐consumer relationships, many substrate kinetics and growth rules have been developed, including the famous Monod kinetics for single‐substrate‐based growth and Liebig's law of the minimum for multiple‐nutrient‐colimited growth. However, the mechanistic basis that leads to these various concepts and mathematical formulations and the implications of their parameters are often quite uncertain. Here, we show that an analogy based on Ohm's law in electric circuit theory is able to unify many of these different concepts and mathematical formulations. In this Ohm's law analogy, a resistor is defined by a combination of consumers’ and substrates’ kinetic traits. In particular, the resistance is equal to the mean first passage time that has been used to derive the Michaelis‐Menten kinetics under substrate replete conditions for a single substrate as well as the predation rate of individual organisms. We further show that this analogy leads to important insights on various biogeochemical problems, such as (a) multiple‐nutrient‐colimited biological growth, (b) denitrification, (c) fermentation under aerobic conditions, (d) metabolic temperature sensitivity, and (e) the legitimacy of Monod kinetics for describing bacterial growth. We expect that our approach will help both modelers and nonmodelers to better understand and formulate hypotheses when studying certain aspects of environmental biogeochemistry and ecology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Interdependent iron and phosphorus availability controls photosynthesis through retrograde signaling

Abstract Iron deficiency hampers photosynthesis and is associated with chlorosis. We recently showed that iron deficiency-induced chlorosis depends on phosphorus availability. How plants integrate these cues to control chlorophyll accumulation is unknown. Here, we show that iron limitation downregulates photosynthesis genes in a phosphorus-dependent manner. Using transcriptomics and genome-wide association analysis, we identify two genes, PHT4;4 encoding a chloroplastic ascorbate transporter and bZIP58 , encoding a nuclear transcription factor, which prevent the downregulation of photosynthesis genes leading to the stay-green phenotype under iron-phosphorus deficiency. Joint limitation of these nutrients induces ascorbate accumulation by activating expression of an ascorbate biosynthesis gene, VTC4 , which requires bZIP58. Furthermore, we demonstrate that chloroplastic ascorbate transport prevents the downregulation of photosynthesis genes under iron-phosphorus combined deficiency through modulation of ROS homeostasis. Our study uncovers a ROS-mediated chloroplastic retrograde signaling pathway to adapt photosynthesis to nutrient availability.

59 BASIC BIOLOGICAL SCIENCES↗