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At least 577 records · Page 32

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DOE OSTI2016

Determination of the solid surface critical exponent β{sub 1} from contact-angle variation on approach to a wetting transition: Cyclohexane/aniline/quartz

The three-phase contact angle (θ) for the system cyclohexane/aniline/quartz has been measured from drop shapes as a function of temperature on approach to the cyclohexane/aniline upper consolute solution temperature T{sub c}. The experiments employed exacting criteria previously established for thermodynamic-quality measurements at fluid interfaces. A first-order wetting transition from partial wetting to complete wetting was observed at a temperature T{sub w}, 2.12 K below T{sub c}. The contact angle vanishes at T{sub w}, scaling as cos θ ∼ |T − T{sub c}|{sup β{sub 1}−μ} for T < T{sub w} and cos θ = 1.0 for T{sub w} < T < T{sub c}. The experimental results give a value for β{sub 1} = 0.74 ± 0.03, in agreement with theoretical calculations. The data clearly rule out higher order contributions to the change in the contact angle near the critical point for this system. These results are in marked contrast to previous measurements on this system from measurements of capillary rise and meniscus curvature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Quantum reactive scattering calculations for the cold and ultracold Li + LiNa → Li 2 + Na reaction

A first-principles based quantum dynamics study of the Li + LiNa(ν = 0, j = 0) → Li 2 (ν', j') + Na reaction is reported for collision energies spanning the ultracold (1 nK) to cold (1 K) regimes. A full-dimensional ab initio potential energy surface for the ground electronic state of Li 2 Na is utilized that includes an accurate treatment of the long-range interactions. The Li + LiNa reaction is barrierless and exoergic and exhibits a deep attractive potential well that supports complex formation. Thus, significant reactivity occurs even for collision temperatures approaching absolute zero. The reactive scattering calculations are based on a numerically exact time-independent quantum dynamics methodology in hyperspherical coordinates. Total and rotationally resolved rate coefficients are reported at 56 collision energies and include all contributing partial waves. Several shape resonances are observed in many of the rotationally resolved rate coefficients and a small resonance feature is also reported in the total rate coefficient near 50 mK. Furthermore, of particular interest, the angular distributions or differential cross sections are reported as a function of both the collision energy and scattering angle. Unique quantum fingerprints (bumps, channels, and ripples) are observed in the angular distributions for each product rotational state due to quantum interference and shape resonance contributions. The Li + LiNa reaction is under active experimental investigation so that these intriguing features could be verified experimentally when sufficient product state resolution becomes feasible for collision energies below 1 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Predictions for observing protostellar outflows with ALMA

Protostellar outflows provide a means to probe the accretion process of forming stars and their ability to inject energy into their surroundings. However, conclusions based on outflow observations depend upon the degree of accuracy with which their properties can be estimated. We examine the quality of Atacama Large Millimeter/submillimeter Array (ALMA) observations of protostellar outflows by producing synthetic {sup 12}CO(1-0) and {sup 13}CO(1-0) observations of numerical simulations. We use various ALMA configurations, observational parameters, and outflow inclinations to assess how accurately different assumptions and setups can recover underlying properties. We find that more compact arrays and longer observing times can improve the mass and momentum recovery by a factor of two. During the first ∼0.3 Myr of evolution, {sup 12}CO(1-0) is optically thick, even for velocities |v|⩾1 km s{sup −1}, and outflow mass is severely underestimated without an optical depth correction. Likewise, {sup 13}CO(1-0) is optically thick during the first ≃0.1 Myr. However, underestimation due to shorter observing time, missing flux, and optical depth are partially offset by the assumption of local thermodynamic equilibrium and higher excitation temperatures. Overall, we expect that full ALMA {sup 13}CO(1-0) observations of protostellar sources within 500 pc with observing times ≳1 hr and assumed excitation temperatures of T<20 K will reliably measure mass and line of sight momentum to within 20%.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2013

ENERGY RELEASE FROM IMPACTING PROMINENCE MATERIAL FOLLOWING THE 2011 JUNE 7 ERUPTION

Solar filaments exhibit a range of eruptive-like dynamic activity, ranging from the full or partial eruption of the filament mass and surrounding magnetic structure as a coronal mass ejection to a fully confined or failed eruption. On 2011 June 7, a dramatic partial eruption of a filament was observed by multiple instruments on board the Solar Dynamics Observatory (SDO) and Solar-Terrestrial Relations Observatory. One of the interesting aspects of this event is the response of the solar atmosphere as non-escaping material falls inward under the influence of gravity. The impact sites show clear evidence of brightening in the observed extreme ultraviolet wavelengths due to energy release. Two plausible physical mechanisms for explaining the brightening are considered: heating of the plasma due to the kinetic energy of impacting material compressing the plasma, or reconnection between the magnetic field of low-lying loops and the field carried by the impacting material. By analyzing the emission of the brightenings in several SDO/Atmospheric Imaging Assembly wavelengths, and comparing the kinetic energy of the impacting material (7.6 × 10{sup 26}-5.8 × 10{sup 27} erg) to the radiative energy (≈1.9 × 10{sup 25}-2.5 × 10{sup 26} erg), we find the dominant mechanism of energy release involved in the observed brightening is plasma compression.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: Phonon confinement and localization

Here, isotope-selective 57 Fe nuclear resonant inelastic x-ray scattering (NRIXS) measurements and atomic-layer resolved density functional theory (DFT) calculations were used to investigate the effect of interfaces on the vibrational (phonon) density of states (VDOS) of (001)-oriented nanoscale Fe/Ag and Fe/Cr multilayers. The multilayers in the experiment contained isotopically enriched 57 Fe monolayers as probe layers located either at the Fe/Ag or Fe/Cr interfaces or in the center of the Fe films. This allows probing of the vibrational ynamics of Fe sites either at the buried interfaces or in the center of the Fe films. For Fe/Ag multilayers, distinct differences were observed experimentally between the Fe-partial VDOS at the interface and in the center. At the Fe/Ag interface, the high-energy longitudinal-acoustic (LA) phonon peak of Fe near ~35 meV is suppressed and slightly shifted to lower energy, and the low-energy part of the VDOS below ~20 meV is drastically enhanced, as compared to the Fe-specific VDOS in the center Fe layers or in bulk Fe. Similar phenomena are found to a less degree in the Fe/Cr multilayers. The measured Fe-partial VDOS was used to determine the Fe site-selective vibrational thermodynamic properties of the multilayers. Our theoretical findings for the layer-dependent VDOS of the multilayers are in qualitative agreement with the experimental results obtained by NRIXS. For Fe/Ag multilayers, which are characterized by a large atomic mass ratio, the experimental and theoretical results demonstrate phonon confinement in the Fe layers and phonon localization at the Fe/Ag interfaces due to the energy mismatch between Ag and Fe LA phonons. These phenomena are reduced or suppressed in the Fe/Cr multilayers with their about equal atomic masses. Moreover, direction-projected Fe VDOS along the (nearly in-plane) incident x-ray beam was computed in order to address the intrinsic vibrational anisotropy of the Fe/Ag multilayer. We have also performed spin-resolved electronic band structure (DFT) calculations, predicting an enhanced magnetic moment (μ Fe = 2.8μ B ) of the interfacial Fe atoms and a high electron spin polarization (79%) at the Fermi energy for the Fe/Ag interface, as compared to the case of Fe center layers. This is a result of charge transfer from Fe to Ag at the interface. On the contrary, Cr tends to donate electrons to Fe, thus reducing the interfacial Fe moment (μ Fe = 1.9μ B ). This implies strong chemical bonding at the Fe/Ag and Fe/Cr interfaces, affecting the interfacial VDOS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Back to the future: Causality on a moving braneworld

Brane observers executing appropriate motion through a partially compactified Lorentz invariant bulk spacetime, such as M 4 × S 1 , can send signals along the brane that are instantaneous or even travel backward in time. Nevertheless, causality in the braneworld remains intact. We establish these results, which follow from superluminal signal propagation reported in Greene et al. [Superluminal propagation on a moving braneworld, Phys. Rev. D 106, 085001 (2022).], through classical analysis and then extend our reasoning by examining quantum mechanical microcausality. Finally, one implication is the capacity for real time communication across arbitrarily large distances.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Anomalous Landau Level Gaps Near Magnetic Transitions in Monolayer WSe 2

First-order phase transitions produce abrupt changes to the character of both ground and excited electronic states. Here we conduct electronic compressibility measurements to map the spin phase diagram and Landau level (LL) energies of monolayer WSe 2 in a magnetic field. We resolve a sequence of first-order phase transitions between completely spin-polarized LLs and states with LLs of both spins. Unexpectedly, the LL gaps are roughly constant over a wide range of magnetic fields below the transitions, which we show reflects spin-polarized ground states with opposite spin excitations. These transitions also extend into compressible regimes, with a sawtooth boundary between full and partial spin polarization. We link these observations to the important influence of LL filling on the exchange energy beyond a smooth density-dependent contribution. Our results show that WSe 2 realizes a unique hierarchy of energy scales where such effects induce reentrant magnetic phase transitions tuned by density and magnetic field. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

TH-EF-BRB-01: BEST IN PHYSICS (THERAPY): Dosimetric Comparison of 4π and Clinical IMRT for Cortex-Sparing High-Grade Glioma Treatment

Purpose: Thinning of the cerebral cortex has been observed in patients treated with fractionated partial brain radiation therapy and may contribute to cognitive decline following treatment. The extent of this thinning is dose-dependent, and was shown comparable to that of neurodegenerative diseases such as Alzheimer’s disease at one year post-therapy. This study investigates whether 4π radiotherapy can enable better sparing of the cortex and other critical structures when compared to conventional clinical IMRT plans. Methods: Clinical cortex-sparing IMRT plans for 15 high-grade glioma patients were included in this study. 4π radiotherapy plans were created for each patient with 20 intensity-modulated non-coplanar fields selected with a greedy column-generation optimization. All plans were normalized to deliver 100% of the prescribed dose to 95% of the planning target volume (PTV). The mean and maximum dose to the cerebral cortex and other organs at risk (OARs) were compared for the two plan types, as well as the conformity index (CI), homogeneity index (HI), and 50% dose spillage volume (R50). Results: The 4π plans significantly reduced the mean cortex dose by an average of 16% (range 6% to 27%) compared to the clinical plans. The mean dose to every other OAR compared was also reduced by 15% to 43%, with statistically significant reductions to the brainstem, chiasm, eyes, optic nerves, subcortical whit, and hippocampus. The average maximum doses were also reduced for 10/12 OARs. The R50 was significantly reduced with the 4π plans (>14%) and the homogeneity index was significantly improved. Conclusion: 4π enables significant sparing of the cerebral cortex when treating high-grade gliomas with fractionated partial brain radiation therapy, potentially reducing the risk of harmful dose-dependent cortical thinning. NIH R43CA183390, NIH R01CA188300, Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Techno-economic assessment for the production of algal fuels and value-added products: opportunities for high-protein microalgae conversion

Abstract Background Microalgae possess numerous advantages for use as a feedstock in producing renewable fuels and products, with techno-economic analysis (TEA) frequently used to highlight the economic potential and technical challenges of utilizing this biomass in a biorefinery context. However, many historical TEA studies have focused on the conversion of biomass with elevated levels of carbohydrates and lipids and lower levels of protein, incurring substantial burdens on the ability to achieve high cultivation productivity rates relative to nutrient-replete, high-protein biomass. Given a strong dependence of algal biomass production costs on cultivation productivity, further TEA assessment is needed to understand the economic potential for utilizing potentially lower-cost but lower-quality, high-protein microalgae for biorefinery conversion. Results In this work, we conduct rigorous TEA modeling to assess the economic viability of two conceptual technology pathways for processing proteinaceous algae into a suite of fuels and products. One approach, termed mild oxidative treatment and upgrading (MOTU), makes use of a series of thermo-catalytic operations to upgrade solubilized proteins and carbohydrates to hydrocarbon fuels, while another alternative focuses on the biological conversion of those substrates to oxygenated fuels in the form of mixed alcohols (MA). Both pathways rely on the production of polyurethanes from unsaturated fatty acids and valorization of unconverted solids for use as a material for synthesizing bioplastics. The assessment found similar, albeit slightly higher fuel yields and lower costs for the MA pathway, translating to a residual solids selling price of $899/ton for MA versus $1033/ton for MOTU as would be required to support a $2.50/gallon gasoline equivalent (GGE) fuel selling price. A variation of the MA pathway including subsequent upgrading of the mixed alcohols to hydrocarbon fuels (MAU) reflected a required solids selling price of $975/ton. Conclusion The slight advantages observed for the MA pathway are partially attributed to a boundary that stops at oxygenated fuels versus fungible drop-in hydrocarbon fuels through a more complex MOTU configuration, with more comparable results obtained for the MAU scenario. In either case, it was shown that an integrated algal biorefinery can be economical through optimal strategies to utilize and valorize all fractions of the biomass.

09 BIOMASS FUELS↗

DOE OSTI2026

Denudation, solute export, landscape evolution modeling, and geographic information system data for the East River watershed, Colorado, USA (2020-2024)

This data package contains geographic information system (GIS) layers and tabular datasets associated with the study of lithologic controls on denudation, solute export, carbon-scaling relationships, and transient landscape evolution in the East River watershed near Crested Butte, Colorado, USA. The package includes GIS layers used to produce the Figure 2 map, including drainage, hillshade, lithology, sample locations, and basin polygons, together with comma-separated value (CSV) tables and matching CSV data dictionaries. One group of tables reports sample-level and catchment-level information for river-sediment samples analyzed for in situ-produced cosmogenic beryllium-10 (10Be), including sample names, outlet elevations, geographic coordinates, upstream drainage area, rock-type classes, production-rate scaling scheme, analyzed nuclide, catchment-averaged denudation rates, and associated lower and upper analytical uncertainties. Sample and catchment attributes provide the basis for comparing denudation rates across intrusive, shale, sedimentary, and mixed-lithology settings. A second group of tables reports supporting information for landscape-evolution modeling and the mapped geologic framework of the study area. Included files list parameter values and definitions for the two-phase landscape-evolution simulations, summarize full-domain model erosion fluxes and topographic metrics for different simulation configurations, provide a fixed-area carbon-model scaling table, and summarize mapped geologic units within the East River study domain, including geologic code, formation name, lithologic description, mapped area, and lithologic class grouping. Model outputs and geologic summaries support interpretation of transient landscape behavior and its relation to the mapped distribution of shale, intrusive, sedimentary, and surficial units. A third group of tables reports hydrologic and hydrochemical information used to quantify dissolved export from the watershed. Included files provide site-level values for drainage area, mean annual solute export, standard error of annual export, area-normalized solute yield, and equivalent weathering rate for five East River monitoring sites, along with metadata describing the number, sampling cadence, and date range of discharge records and partial and full total dissolved solids observations used in the solute-yield analyses. The package also contains a supplementary daily ion-load time series with daily mean discharge, discharge observation counts, dissolved concentrations, and daily loads for calcium, magnesium, sodium, potassium, chloride, sulfate, nitrate, fluoride, dissolved silica, charge-balance bicarbonate, and total dissolved solids. The package contains GIS files, comma-separated value files (.csv), CSV data dictionaries, a file-level metadata table, a package-tree text file, and a readme text file.

10Be↗

DOE OSTI2021

X-ray Characterization of Conformational Changes of Human Apo- and Holo-Transferrin

Human serum transferrin (Tf) is a bilobed glycoprotein whose function is to transport iron through receptor-mediated endocytosis. The mechanism for iron release is pH-dependent and involves conformational changes in the protein, thus making it an attractive system for possible biomedical applications. In this contribution, two powerful X-ray techniques, namely Macromolecular X-ray Crystallography (MX) and Small Angle X-ray Scattering (SAXS), were used to study the conformational changes of iron-free (apo) and iron-loaded (holo) transferrin in crystal and solution states, respectively, at three different pH values of physiological relevance. A crystallographic model of glycosylated apo-Tf was obtained at 3.0 Å resolution, which did not resolve further despite many efforts to improve crystal quality. In the solution, apo-Tf remained mostly globular in all the pH conditions tested; however, the co-existence of closed, partially open, and open conformations was observed for holo-Tf, which showed a more elongated and flexible shape overall.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Metagenomic Insight into Environmentally Challenged Methane-Fed Microbial Communities

In this study, we aimed to investigate, through high-resolution metagenomics and metatranscriptomics, the composition and the trajectories of microbial communities originating from a natural sample, fed exclusively with methane, over 14 weeks of laboratory incubation. This study builds on our prior data, suggesting that multiple functional guilds feed on methane, likely through guild-to-guild carbon transfer, and potentially through intraguild and intraspecies interactions. We observed that, under two simulated dioxygen partial pressures—low versus high—community trajectories were different, with considerable variability among the replicates. In all microcosms, four major functional guilds were prominently present, representing Methylococcaceae (the true methanotrophs), Methylophilaceae (the nonmethanotrophic methylotrophs), Burkholderiales, and Bacteroidetes. Additional functional guilds were detected in multiple samples, such as members of Opitutae, as well as the predatory species, suggesting additional complexity for methane-oxidizing communities. Metatranscriptomic analysis suggested simultaneous expression of the two alternative types of methanol dehydrogenases in both Methylococcaceae and Methylophilaceae, while high expression of the oxidative/nitrosative stress response genes suggested competition for dioxygen among the community members. The transcriptomic analysis further suggested that Burkholderiales likely feed on acetate that is produced by Methylococcaceae under hypoxic conditions, while Bacteroidetes likely feed on biopolymers produced by both Methylococcaceae and Methylophilaceae.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1976

Surface studies of thermionic cathodes and the mechanism of operation of an impregnated tungsten cathode

The surface properties of conventional impregnated cathodes were investigated by the use of Auger spectroscopy and work function measurements, and these were compared with a synthesized barium or barium oxide coated tungsten surface. The barium and barium oxide coated surfaces were prepared by evaporating barium onto a tungsten surface that can be heated to elevated temperatures. Multilayer or monolayer coverages can be investigated using this technique. The results of this study show that the surface of an impregnated tungsten cathode is identical to that observed for a synthesized monolayer or partial monolayer of barium on partially oxidized tungsten, using the criteria of identical Auger patterns and work functions. Desorption measurements of barium from a tungsten surface were also made. These results in conjunction with Auger and work function data were interpreted to show that throughout most of its life an impregnated cathode operating in the range of 1100 C has a partial monolayer rather than a monolayer of barium on its surface.

Forman, R.↗

NASA NTRS1976

Surface studies of barium and barium oxide on tungsten and its application to understanding the mechanism of operation of an impregnated tungsten cathode

Surface studies have been made of multilayer and monolayer films of barium and barium oxide on a tungsten substrate. The purpose of the investigation was to synthesize the surface conditions that exist on an activated impregnated tungsten cathode and obtain a better understanding of the mechanism of operation of such cathodes. The techniques employed in these measurements were Auger spectroscopy and work-function measurements. The results of this study show that the surface of an impregnated cathode is identical to that observed for a synthesized monolayer or partial monolayer of barium on oxidized tungsten by evaluating Auger spectra and work-function measurements. Data obtained from desorption studies of barium monolayers on a tungsten substrate in conjunction with Auger and work-function results have been interpreted to show that throughout most of its life an impreganated cathode has a partial monolayer, rather than a monolayer, of barium on its surface.

Forman, R.↗

NASA NTRS1977

Very low-Ti mare basalts

Bulk compositions, petrology, and mineralogy of lithic fragments discovered in polished sections of Apollo 17 drill core samples 70007, 70008, and 70009 and Luna 24 soil 24077, 43 are described. The fragments have unambiguous affinities to mare basalts, but are exceptionally low in TiO2 (less than 1.0 wt.% TiO2). Apollo 17 rake sample 78526 is a green glassy rock of similar composition. Together the samples represent a distinct variety of mare basalts. Bulk compositional relationships suggest that they are related to Apollo 15 green glass, but the data do not permit one to discern the precise nature of the relationship. Both fractional crystallization and partial melting models can explain the observed compositional trends.

Taylor, G. J.↗

NASA NTRS1979

Viking Orbiter imaging observations of dust in the Martian atmosphere

More than 20 local Martian dust clouds and two global dust storms were observed with the Viking Orbiter camera. Sixteen of the local clouds were imaged in two colors or were observed with other instruments confirming their identification as dust clouds. These Viking results are compared with earth-based observations of Martian dust storms and with Mariner 9 data. Most of the dust activity seen by Viking occurred during southern hemisphere spring and early summer, when Mars was near perihelion and insolation was near maximum. About half the local clouds occurred near the edge of the southern polar cap, where winds are presumably enhanced by a strong regional temperature gradient. The other half occurred mainly in the southern hemisphere near regions where circulation models incorporating topography predict positive vertical velocities. Although dust clouds observed from earth show a similar partial correlation with models, some ambiguity exists concerning interpretation of regions near Hellespontus that have spawned the most spectacular Martian dust storms on record.

Briggs, G. A.↗

NASA NTRS1980

Infrared measurements of a scramjet exhaust

Diagnostic 2 - 5 mm infrared spectra of a hydrogen burning scramjet exhaust were measured with an interferometer spectrometer. Exhaust gas temperatures and water vapor partial pressures were determined from the observed intensity and spectral profile of the H2O 2.7 mm infrared emission band. Overall engine combustion efficiencies were derived by combining these measurements with the known engine operating conditions. Efficiencies fall (70 - 50 percent) as fuel equivalence ratios rise (0.4 - 1.0). Data analysis techniques and sensitivity studies are also presented.

Reed, R. A.↗

NASA NTRS1980

The relationships between high-latitude convection reversals and the energetic particle morphology observed by Atmosphere Explorer

A statistical investigation and a case study of simultaneous particle and ion convection velocity measurements from Atmosphere Explorer are presented. They show that at all local times between 1800 and 0600 hours the gross convection reversal boundary lies equatorward of the boundary between the discrete, highly structured boundary plasma sheet precipitation and the polar rain. This study indicates the existence of shear and rotational convection reversals on closed field lines; the observed morphology is consistent with a partially closed magnetosphere in which some portion of convection electric field is generated in the low-latitude boundary layer.

Heelis, R. A.↗