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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Design, construction, and performance of the GEM based radial time projection chamber for the BONuS12 experiment with CLAS12

Here, a new radial time projection chamber based on Gas Electron Multiplier amplification layers was developed for the BONuS12 experiment in Hall B at Jefferson Lab. This device represents a significant evolutionary development over similar devices constructed for previous experiments, including cylindrical amplification layers constructed from single continuous GEM foils with less than 1% dead area. Particular attention had been paid to producing excellent geometric uniformity of all electrodes, including the very thin metalized polyester film of the cylindrical cathode. This manuscript describes the design, construction, and performance of this new detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

A review of separation processes proposed for advanced fuel cycles based on technology readiness level assessments

The results of an international review of separation processes for spent nuclear fuel (SNF) recycling in future closed fuel cycles are reported. This study was made by the Expert Group on Fuel Recycling Chemistry (EGFRC) organised by the Nuclear Energy Agency (NEA) of the Organisation for Economic Co-operation and Development (OECD). A unique feature of this study was that processes were classified according to a hierarchy of separations aimed at different elements within spent fuel (uranium; uranium-plutonium co-recovery; minor actinides; high heat generating radionuclides) and also the Head-end processes, used to prepare the SNF for chemical separation, were included. Separation processes covered both wet (hydrometallurgical) and dry (pyro-chemical) processes. A bespoke methodology suitable for assessing the technological maturities of separation processes for SNF recycling was then designed based on the well-established Technology Readiness Level (TRL) scale but adapted for spent nuclear fuel separations. The innovative feature of this was the use of a matrix approach that enabled information on both the scale of testing and materials used in testing to be combined in the evaluation of the TRL. TRLs for the Head-end, hydrometallurgical and pyrochemical processes that had been reviewed by the study have been evaluated. It is clear that, whilst more R&D is needed in most cases to raise TRLs, suitable options exist to enable the recovery of all actinide elements plus the HHRs by wet or dry processes, even up to the extraordinarily difficult isolation of americium alone. The technology readiness levels (TRL) for most processes fall in the ‘proof of principle’ range with TRLs between 4 and 6, although this is an evaluation at the system level and some gaps in the individual process steps may still exist that strictly would reduce the overall TRL. That is, flowsheets have been proposed for processes and tested with active materials under increasingly relevant conditions, through to initial hot tests with small quantities of SNF. The results of this work were shown to be comparable to a parallel European study that evaluated TRLs for minor actinide partitioning processes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

Suppressive effects of acid-forming diet against the tumorigenic potential of pioglitazone hydrochloride in the urinary bladder of male rats

Pioglitazone hydrochloride (PIO), a peroxisome proliferator-activated receptor gamma (PPAR{gamma}) agonist, was administered orally for 85 weeks at 16 mg/kg/day to male rats fed either a diet containing 1.5% ammonium chloride (acid-forming diet) or a control diet to investigate the effects of urinary acidification induced by the acid-forming diet on the tumorigenic potential of PIO in the urinary bladder. The surviving animals at the end of the administration period were followed to the end of the 2-year study period without changes in the diet and were subjected to terminal necropsy on Week 104. The number of urinary microcrystals, evaluated by manual counting with light microscopy and by an objective method with a laser diffraction particle size analyzer, was increased by PIO on Weeks 12 and 25 and the increases were markedly suppressed by urinary acidification. Urinary citrate was decreased by PIO throughout the study period, but no changes were seen in urinary oxalate at any timepoint. The incidences of PIO-treated males bearing at least one of the advanced proliferative changes consisting of papillary hyperplasia, nodular hyperplasia, papilloma or carcinoma were significantly decreased from 11 of 82 males fed the control diet to 2 of 80 males fed the acid-forming diet. The acid-forming diet did not show any effects on the toxicokinetic parameters of PIO and its metabolites. Microcrystalluria appears to be involved in the development of the advanced stage proliferative lesions in bladder tumorigenesis induced by PIO in male rats.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

A review of potential neurotoxic mechanisms among three chlorinated organic solvents

The potential for central nervous system depressant effects from three widely used chlorinated solvents, trichloroethylene (TCE), perchloroethylene (PERC), and dichloromethane (DCM), has been shown in human and animal studies. Commonalities of neurobehavioral and neurophysiological changes for the chlorinated solvents in in vivo studies suggest that there is a common mechanism(s) of action in producing resultant neurotoxicological consequences. The purpose of this review is to examine the mechanistic studies conducted with these chlorinated solvents and to propose potential mechanisms of action for the different neurological effects observed. Mechanistic studies indicate that this solvent class has several molecular targets in the brain. Additionally, there are several pieces of evidence from animal studies indicating this solvent class alters neurochemical functions in the brain. Although earlier evidence indicated that these three chlorinated solvents perturb the lipid bilayer, more recent data suggest an interaction between several specific neuronal receptors produces the resultant neurobehavioral effects. Collectively, TCE, PERC, and DCM have been reported to interact directly with several different classes of neuronal receptors by generally inhibiting excitatory receptors/channels and potentiating the function of inhibitory receptors/channels. Given this mechanistic information and available studies for TCE, DCM, and PERC, we provide hypotheses on primary targets (e.g. ion channel targets) that appear to be most influential in producing the resultant neurological effects. - Research Highlights: > Comparison of neurological effects among TCE, PERC, and DCM. > Correlation of mechanistic findings to neurological effects. > Data support that TCE, PERC, and DCM interact with several ion channels to produce neurological changes.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Evaluation of the sensitizing potential of antibiotics in vitro using the human cell lines THP-1 and MUTZ-LC and primary monocyte‐derived dendritic cells

Since the 7th amendment to the EU cosmetics directive foresees a complete ban on animal testing, alternative in vitro methods have been established to evaluate the sensitizing potential of small molecular weight compounds. To find out whether these novel in vitro assays are also capable to predict the sensitizing potential of small molecular weight drugs, model compounds such as beta-lactams and sulfonamides – which are the most frequent cause of adverse drug reactions – were co-incubated with THP-1, MUTZ-LC, or primary monocyte‐derived dendritic cells for 48 h and subsequent expression of selected marker genes (IL-8, IL-1β, CES1, NQO1, GCLM, PIR and TRIM16) was studied by real time PCR. Benzylpenicillin and phenoxymethylpenicillin were recognized as sensitizing compounds because they are capable to induce the mRNA expression of these genes in moDCs and, except for IL-8, in THP-1 cells but not in MUTZ-LC. Ampicillin stimulated the expression of some marker genes in moDCs and THP-1 cells. SMX did not affect the expression of these genes in THP-1, however, in moDCs, at least PIR was enhanced and there was an increase of the release of IL-8. These data reveal that novel in vitro DC based assays might play a role in the evaluation of the allergenic potential of novel drug compounds, but these systems seem to lack the ability to detect the sensitizing potential of prohaptens that require metabolic activation prior to sensitization and moDCs seem to be superior with regard to the sensitivity compared with THP-1 and MUTZ-3 cell lines. -- Highlights: ► We tested the sensitizing potential of small molecular weight drugs in vitro. ► In vitro assays were performed with moDCs and THP-1 cells. ► Beta-lactam antibiotics can be recognized as sensitizing compounds. ► They affect the expression of metabolic enzymes, cytokines and transcription factors. ► Sulfamethoxazole has no measurable effect on THP-1 cells and moDCs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Vaccinia virions deficient in transcription enzymes lack a nucleocapsid

The poxvirus virion contains an inner tubular nucleocapsid structure. The nucleocapsid is apparently labile to conventional electron microscopy fixation procedures and has therefore been largely ignored for decades. Advancements in electron microscopy sample preparation, notably high pressure freezing, better preserve the nucleocapsid structure. Using high pressure freezing and electron microscopy, we have compared the virion structures of wt virus and mutant viruses known to be deficient in packaging of viral transcription enzymes. We show that the mutant viruses lack a defined nucleocapsid. These results support the hypothesis that the nucleocapsid contains the viral DNA genome complexed with viral transcription enzymes and structural proteins. The studies open the door to further investigation of the composition and ultrastructure of the poxvirus nucleocapsid.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Metabolic flux and resource balance in the oleaginous yeast Rhodotorula toruloides

The yeast Rhodotorula toruloides is a promising bioproduction organism due to its high lipid yields and ability to grow on cheap and abundant substrates. Quantitative, systems-level assessment of its metabolic activity is accordingly merited. Resource-balance analysis (RBA) models capture not only reaction stoichiometry but also enzyme requirements for catalysis, providing valuable tools for understanding metabolic trade-offs and optimizing metabolic engineering strategies. Here, in this work, we present systems-level measurements of R. toruloides metabolic flux based on isotope tracing and metabolic flux analysis. In combination with new proteomic measurements, these flux data are used to parameterize a genome-scale resource balance model rtRBA. We find that S. cerevisiae and R. toruloides grow at nearly indistinguishable rates using similar biosynthetic but dramatically different central metabolic programs. R. toruloides consumes one-fifth as much glucose, which it metabolizes primarily via the pentose phosphate pathway and TCA cycle unlike primarily glycolysis in S. cerevisiae . Overall, across these two divergent yeasts, protein abundances aligned more closely than metabolic flux. Resource balance modeling of these metabolic programs predicts superior theoretical yields but lower productivities in R. toruloides than S. cerevisiae for industrial chemicals, highlighting the value of rapid glucose uptake for productivity but respiratory metabolism for yields.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Coherent dynamics in the rotor tip shear layer of utility-scale wind turbines

Here, recent field experiments conducted in the near wake (up to 0.5 rotor diameters downwind of the rotor) of a Clipper Liberty C96 2.5 MW wind turbine using snow-based super-large-scale particle image velocimetry (SLPIV) were successful in visualizing tip vortex cores as areas devoid of snowflakes. The so-visualized snow voids, however, suggested tip vortex cores of complex shape consisting of circular cores with distinct elongated comet-like tails. We employ large-eddy simulation (LES) to elucidate the structure and dynamics of the complex tip vortices identified experimentally. We show that the LES, with inflow conditions representing as closely as possible the state of the flow approaching the turbine when the SLPIV experiments were carried out, reproduce vortex cores in good qualitative agreement with the SLPIV results, essentially capturing all vortex core patterns observed in the field in the tip shear layer. The computed results show that the visualized vortex patterns are formed by the tip vortices and a second set of counter-rotating spiral vortices intertwined with the tip vortices. To probe the dependence of these newly uncovered coherent flow structures on turbine design, size and approach flow conditions, we carry out LES for three additional turbines: (i) the Scaled Wind Farm Technology (SWiFT) turbine developed by Sandia National Laboratories in Lubbock, TX, USA; (ii) the wind turbine developed for the European collaborative MEXICO (Model Experiments in Controlled Conditions) project; and (iii) the model turbine, and the Clipper turbine under varying inflow turbulence conditions. We show that similar counter-rotating vortex structures as those observed for the Clipper turbine are also observed for the SWiFT, MEXICO and model wind turbines. However, the strength of the counter-rotating vortices relative to that of the tip vortices from the model turbine is significantly weaker. We also show that incoming flows with low level turbulence attenuate the elongation of the tip and counter-rotating vortices. Sufficiently high turbulence levels in the incoming flow, on the other hand, tend to break up the coherence of spiral vortices in the near wake. To elucidate the physical mechanism that gives rise to such rich coherent dynamics we examine the stability of the turbine tip shear layer using the theory. We show that for all simulated cases the theory consistently indicates the flow to be unstable exactly in the region where counter-rotating spirals emerge. We thus postulate that centrifugal instability of the rotating turbine tip shear layer is a possible mechanism for explaining the phenomena we have uncovered herein.

17 WIND ENERGY↗
DOE OSTI2026

Simulations of a hypersonic turbulent boundary layer over wavy surfaces

Here, we conduct large-eddy simulations of a Mach 5.84 cold wall turbulent boundary layer over one-dimensional wavy walls with varying amplitudes and wavelengths. Across all wall topologies, a series of alternating shock and expansion waves is shown to influence the entire boundary layer, and generate repeating wave patterns in the turbulent stresses, dispersive stresses, and turbulent kinetic energy budget. The series of alternating shocks and expansions imposes repeating adverse and favourable pressure gradients across the wavy wall, and at sufficient wall amplitude, triggers flow separation in the trough of the wave. Flow separation is demonstrated to influence the behaviour of wall pressure fluctuations over the wavy wall. In attached flows, the prominent frequencies are consistent with integral-scale boundary layer turbulence, whereas in separated flows, a two-decade frequency range is present, akin to two-dimensional shock–boundary layer interactions. Counter-rotating streamwise-oriented structures are observed on the windward side of the wave, which diminish over the wave crest. A conditional analysis demonstrates that these structures are present in the upstream boundary layer, and are amplified with increasing wall amplitude. An examination of the Görtler number and probability density function (PDF) of the fluctuating lateral wall shear stress demonstrates the strong correlation between a large Görtler number and growth of the PDF tail density, suggesting that the amplification of the counter-rotating streamwise-oriented structures are linked to centrifugal instabilities in regions of streamline concavity.

boundary layers↗
DOE OSTI2023

Comparison of the stellar populations of bulges and discs using the MaNGA survey

We use the MaNGA integral field spectroscopic survey of low-redshift galaxies to compare the stellar populations of the bulge and disc components, identified from their Sérsic profiles, for various samples of galaxies. Bulge-dominated regions tend to be more metal-rich and have slightly older stellar ages than their associated disc-dominated regions. The metallicity difference is consistent with the deeper gravitational potential in bulges relative to discs, which allows bulges to retain more of the metals produced by stars. The age difference is due to star formation persisting longer in discs relative to bulges. Relative to galaxies with lower stellar masses, galaxies with higher stellar masses tend to have bulge-dominated regions that are more metal-rich and older (in light-weighted measurements) than their disc-dominated regions. This suggests high-mass galaxies quench from the inside out, while lower-mass galaxies quench across the whole galaxy simultaneously. Early-type galaxies tend to have bulge-dominated regions the same age as their disc-dominated regions, while late-type galaxies tend to have disc-dominated regions significantly younger than their bulge-dominated regions. Central galaxies tend to have a greater metallicity difference between their bulge-dominated regions and disc-dominated regions than satellite galaxies at similar stellar mass. This difference may be explained by central galaxies being subject to mergers or extended gas accretion bringing new, lower-metallicity gas to the disc, thereby reducing the average metallicity and age of the stars; quenching of satellite discs may also play a role.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Population Balance Models for Catalytic Depolymerization: From Elementary Steps to Multiphase Reactors

Here, the ongoing accumulation of plastic waste in landfills and in the environment is driving research on chemical processes and catalysts to recycle polymers. Traditional modeling strategies are not applicable to these processes because they involve too many reactants and intermediates, one for each molecular weight and each functionalization. To model the kinetics, we have developed population balance models (PBMs) that account for macromolecular reactants in the bulk and macromolecular catalytic intermediates. These PBMs couple to each other through polymer adsorption and desorption models and to traditional rate equations for small molecule products and co-reactants (like hydrogen or ethylene). The models, in combination with experimental data, are being used in many ways: (i) to test mechanistic hypotheses, (ii) to extract rate parameters, (iii) to quantitatively compare catalyst activities, (iv) to account for mass transfer and vapor–liquid partitioning in two-phase reactors, and (v) to design novel support architectures and catalysts that mimic the processive action of natural depolymerization enzymes. Some key theoretical advances allow PBMs to be constructed from elementary rates and mechanisms, as opposed to traditional formulations with pseudoelementary rate parameters invoked as fitting parameters. We discuss ways to build these models “bottom-up” from first-principles calculations and ways to extract model parameters from “top down” analyses of rate data. The combination provides a quantitative bridge between first-principles calculations and the kinetics of complex macromolecular transformations for polymer upcycling and beyond.

Manis, Lela K. [University of Illinois at Urbana-C↗
DOE OSTI2017

Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route

Here, we present a reliable and cost-effective procedure for the inclusion of anharmonic effects in excited-state energies and spectroscopic intensities by means of second-order vibrational perturbation theory. This development is made possible thanks to a recent efficient implementation of excited-state analytic Hessians and properties within the time-dependent density functional theory framework. As illustrated in this work, by taking advantage of such algorithmic developments, it is possible to perform calculations of excited-state infrared spectra of medium-large isolated molecular systems, with anharmonicity effects included in both the energy and property surfaces. We also explore the use of this procedure for the inclusion of anharmonic effects in the simulation of vibronic bandshapes of electronic spectra, and compare the results with previous, more approximate models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗