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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Olefin oligomerization by main group Ga 3+ and Zn 2+ single site catalysts on SiO 2

In heterogeneous catalysis, olefin oligomerization is typically performed on immobilized transition metal ions, such as Ni 2+ and Cr 3+ . Here we report that silica-supported, single site catalysts containing immobilized, main group Zn 2+ and Ga 3+ ion sites catalyze ethylene and propylene oligomerization to an equilibrium distribution of linear olefins with rates similar to that of Ni 2+ . The molecular weight distribution of products formed on Zn 2+ is similar to Ni 2+ , while Ga 3+ forms higher molecular weight olefins. In situ spectroscopic and computational studies suggest that oligomerization unexpectedly occurs by the Cossee-Arlman mechanism via metal hydride and metal alkyl intermediates formed during olefin insertion and β-hydride elimination elementary steps. Initiation of the catalytic cycle is proposed to occur by heterolytic C-H dissociation of ethylene, which occurs at about 250 °C where oligomerization is catalytically relevant. This work illuminates new chemistry for main group metal catalysts with potential for development of new oligomerization processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

Reliably identifying short-lived chemical reaction intermediates is crucial to elucidate reaction mechanisms but becomes particularly challenging when multiple transient species occur simultaneously. Here, we report a femtosecond x-ray emission spectroscopy and scattering study of the aqueous ferricyanide photochemistry, utilizing the combined Fe Kβ main and valence-to-core emission lines. Following UV-excitation, we observe a ligand-to-metal charge transfer excited state that decays within 0.5 ps. On this timescale, we also detect a hitherto unobserved short-lived species that we assign to a ferric penta-coordinate intermediate of the photo-aquation reaction. We provide evidence that bond photolysis occurs from reactive metal-centered excited states that are populated through relaxation of the charge transfer excited state. Beyond illuminating the elusive ferricyanide photochemistry, these results show how current limitations of Kβ main line analysis in assigning ultrafast reaction intermediates can be circumvented by simultaneously using the valence-to-core spectral range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain

The monomeric catalytic domain (residues 1–199) of SARS-CoV-2 main protease (MPro 1-199 ) fused to 25 amino acids of its flanking nsp4 region mediates its autoprocessing at the nsp4-MPro 1-199 junction. We report the catalytic activity and the dissociation constants of MPro 1-199 and its analogs with the covalent inhibitors GC373 and nirmatrelvir (NMV), and the estimated monomer-dimer equilibrium constants of these complexes. Mass spectrometry indicates the presence of the accumulated adduct of NMV bound to MPro WT and MPro 1-199 and not of GC373. A room temperature crystal structure reveals a native-like fold of the catalytic domain with an unwound oxyanion loop (E state). In contrast, the structure of a covalent complex of the catalytic domain-GC373 or NMV shows an oxyanion loop conformation (E* state) resembling the full-length mature dimer. These results suggest that the E-E* equilibrium modulates autoprocessing of the main protease when converting from a monomeric polyprotein precursor to the mature dimer.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

How the “main condition” of phase stability can explain the effect of the velocity deviation of secondary electrons in DC-biased single-sided multipactors

In this work, a “main condition” for phase stability has been employed to investigate the effects of the velocity deviation of the electrons in DC-biased single-sided multipactors (MPs). In a previous study [M. Mostajeran, Phys. Plasmas 21, 053108 (2014)], a stability equation was derived, where the secondary electron was assumed to have zero initial velocity and the phase deviation from the resonant phase was considered. In this work, both deviations in phase and velocity from the resonant condition are taken into account, assuming nonzero initial velocity for the secondary electrons. Using the main condition for stability, it is shown that MP discharge can rise in situations, where large velocity deviations from initial velocity and large phase deviations from resonant phase exist. This is contrary to what can be predicted on the basis of the “simple stability condition.” This result is further confirmed by numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Bending of five-layer beams with crosswise corrugated main core

The subject of the study is one orthotropic thin-walled sandwich beam with trapezoidal core and two-layer facings. The outer layers of facings are flat, but inner layers are trapezoidal corrugated. The main core of the beam is also trapezoidal corrugated – in perpendicular direction to the corrugation of inner layers of facings. The beam is with lengthwise corrugated layers and crosswise corrugated main core. The mathematical and physical model of this beam is formulated, and also the field of displacements. The system of equilibrium equations is analytically derived using the energy method. The obtained solutions will be verified numerically (FEM)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions

Recently, we developed a new method for generating effective core potentials (ECPs) using valence energy isospectrality with explicitly correlated all-electron (AE) excitations and norm-conservation criteria. We apply this methodology to the 3rd-row main group elements, creating new correlation consistent ECPs (ccECPs) and also deriving additional ECPs to complete the ccECP table for H–Kr. For K and Ca, we develop Ne-core ECPs, and for the 4 p main group elements, we construct [Ar]3 d 10 -core potentials. Scalar relativistic effects are included in their construction. Our ccECPs reproduce AE spectra with significantly better accuracy than many existing pseudopotentials and show better overall consistency across multiple properties. The transferability of ccECPs is tested on monohydride and monoxide molecules over a range of molecular geometries. Finally, for the constructed ccECPs, we also provide optimized DZ-6Z valence Gaussian basis sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Evidence on the effects of main-chamber neutrals on density shoulder broadening

Evidence that density shoulder broadening is dependent on high main-chamber neutral density is presented. Shoulder broadening does not occur when the sources for main-chamber neutrals are minimized using divertor baffles and wide gaps to the first wall (~3× the density decay length). Removing the baffles or reducing the gap to the inner wall both act to increase the density shoulder amplitude in otherwise identical TCV discharges. Radial turbulent transport is correlated with shoulder amplitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

HIGH ECLIPTIC LATITUDE SURVEY FOR SMALL MAIN-BELT ASTEROIDS

Main-belt asteroids have been continuously colliding with one another since they were formed. Their size distribution is primarily determined by the size dependence of asteroid strength against catastrophic impacts. The strength scaling law as a function of body size could depend on collision velocity, but the relationship remains unknown, especially under hypervelocity collisions comparable to 10 km s{sup –1}. We present a wide-field imaging survey at an ecliptic latitude of about 25° for investigating the size distribution of small main-belt asteroids that have highly inclined orbits. The analysis technique allowing for efficient asteroid detections and high-accuracy photometric measurements provides sufficient sample data to estimate the size distribution of sub-kilometer asteroids with inclinations larger than 14°. The best-fit power-law slopes of the cumulative size distribution are 1.25 ± 0.03 in the diameter range of 0.6-1.0 km and 1.84 ± 0.27 in 1.0-3.0 km. We provide a simple size distribution model that takes into consideration the oscillations of the power-law slope due to the transition from the gravity-scaled regime to the strength-scaled regime. We find that the high-inclination population has a shallow slope of the primary components of the size distribution compared to the low-inclination populations. The asteroid population exposed to hypervelocity impacts undergoes collisional processes where large bodies have a higher disruptive strength and longer lifespan relative to tiny bodies than the ecliptic asteroids.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Hubble space telescope investigation of main-belt comet 133P/Elst-Pizarro

We report new observations of the prototype main-belt comet (active asteroid) 133P/Elst-Pizarro taken at high angular resolution using the Hubble Space Telescope. The object has three main components: (1) a point-like nucleus; (2) a long, narrow antisolar dust tail; and (3) a short, sunward anti-tail. There is no resolved coma. The nucleus has a mean absolute magnitude H{sub V} = 15.70 ± 0.10 and a light curve range ΔV = 0.42 mag, the latter corresponding to projected dimensions 3.6 × 5.4 km (axis ratio 1.5:1) at the previously measured geometric albedo of 0.05 ± 0.02. We explored a range of continuous and impulsive emission models to simultaneously fit the measured surface brightness profile, width, and position angle of the antisolar tail. Preferred fits invoke protracted emission, over a period of 150 days or less, of dust grains following a differential power-law size distribution with index 3.25 ≤q ≤ 3.5 and with a wide range of sizes. Ultra-low surface brightness dust projected in the sunward direction is a remnant from emission activity occurring in previous orbits, and consists of the largest (≥cm-sized) particles. Ejection velocities of one-micron-sized particles are comparable to the ∼1.8 m s{sup –1} gravitational escape speed of the nucleus, while larger particles are released at speeds less than the gravitational escape velocity. The observations are consistent with, but do not prove, a hybrid hypothesis in which mass loss is driven by gas drag from the sublimation of near-surface water ice, but escape is aided by centripetal acceleration from the rotation of the elongated nucleus. No plausible alternative hypothesis has been identified.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MAIN-BELT ASTEROIDS IN THE K2 ENGINEERING FIELD OF VIEW

Unlike NASA’s original Kepler Discovery Mission, the renewed K2 Mission will target the plane of the Ecliptic, observing each field for approximately 75 days. This will bring new opportunities and challenges, in particular the presence of a large number of main-belt asteroids that will contaminate the photometry. The large pixel size makes K2 data susceptible to the effects of apparent minor planet encounters. Here, we investigate the effects of asteroid encounters on photometric precision using a subsample of the K2 engineering data taken in 2014 February. We show examples of asteroid contamination to facilitate their recognition and distinguish these events from other error sources. We conclude that main-belt asteroids will have considerable effects on K2 photometry of a large number of photometric targets during the Mission that will have to be taken into account. These results will be readily applicable for future space photometric missions applying large-format CCDs, such as TESS and PLATO.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

STIS CORONAGRAPHIC IMAGING OF FOMALHAUT: MAIN BELT STRUCTURE AND THE ORBIT OF FOMALHAUT b

We present new optical coronagraphic data of Fomalhaut obtained with HST/STIS in 2010 and 2012. Fomalhaut b is recovered at both epochs to high significance. The observations include the discoveries of tenuous nebulosity beyond the main dust belt detected to at least 209 AU projected radius, and a ∼50 AU wide azimuthal gap in the belt northward of Fomalhaut b. The two epochs of Space Telescope Imaging Spectrograph (STIS) photometry exclude optical variability greater than 35%. A Markov chain Monte Carlo analysis demonstrates that the orbit of Fomalhaut b is highly eccentric, with e = 0.8 ± 0.1, a = 177 ± 68 AU, and q = 32 ± 24 AU. Fomalhaut b is apsidally aligned with the belt and 90% of allowed orbits have mutual inclination ≤36°. Fomalhaut b's orbit is belt crossing in the sky plane projection, but only 12% of possible orbits have ascending or descending nodes within a 25 AU wide belt annulus. The high eccentricity invokes a dynamical history where Fomalhaut b may have experienced a significant dynamical interaction with a hypothetical planet Fomalhaut c, and the current orbital configuration may be relatively short-lived. The Tisserand parameter with respect to a hypothetical Fomalhaut planet at 30 AU or 120 AU lies in the range 2-3, similar to highly eccentric dwarf planets in our solar system. We argue that Fomalhaut b's minimum mass is that of a dwarf planet in order for a circumplanetary satellite system to remain bound to a sufficient radius from the planet to be consistent with the dust scattered light hypothesis. In the coplanar case, Fomalhaut b will collide with the main belt around 2032, and the subsequent emergent phenomena may help determine its physical nature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

THE EFFECTS OF ROTATION ON THE MAIN-SEQUENCE TURNOFF OF INTERMEDIATE-AGE MASSIVE STAR CLUSTERS

The double or extended main-sequence turnoffs (MSTOs) in the color-magnitude diagram (CMD) of intermediate-age massive star clusters in the Large Magellanic Cloud are generally interpreted as age spreads of a few hundred Myr. However, such age spreads do not exist in younger clusters (i.e., 40-300 Myr), which challenges this interpretation. The effects of rotation on the MSTOs of star clusters have been studied in previous works, but the results obtained are conflicting. Compared with previous works, we consider the effects of rotation on the main-sequence lifetime of stars. Our calculations show that rotating models have a fainter and redder MSTO with respect to non-rotating counterparts with ages between about 0.8 and 2.2 Gyr, but have a brighter and bluer MSTO when age is larger than 2.4 Gyr. The spread of the MSTO caused by a typical rotation rate is equivalent to the effect of an age spread of about 200 Myr. Rotation could lead to the double or extended MSTOs in the CMD of the star clusters with ages between about 0.8 and 2.2 Gyr. However, the extension is not significant, and it does not even exist in younger clusters. If the efficiency of the mixing were high enough, the effects of the mixing would counteract the effect of the centrifugal support in the late stage of evolution, and the rotationally induced extension would disappear in the old intermediate-age star clusters, but younger clusters would have an extended MSTO. Moreover, the effects of rotation might aid in understanding the formation of some 'multiple populations' in globular clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Nature of Hα selected galaxies at z > 2. I. Main-sequence and dusty star-forming galaxies

We present the results from our narrow-band imaging surveys of Hα emitters (HAEs) at z = 2.2 and z = 2.5 in the Subaru/XMM-Newton Deep survey Field with near-infrared camera MOIRCS on the Subaru Telescope. We have constructed a clean sample of 63 star-forming galaxies at z = 2.2 and 46 at z = 2.5. For 12 (or ∼92%) out of 13 HAEs at z = 2.2, their Hα emission lines have been successfully detected by the spectroscopy. While about 42% of the red, massive HAEs with M {sub *} > 10{sup 10.8} M {sub ☉} contain active galactic nuclei (AGNs), most of the blue, less massive ones are likely to be star-forming galaxies. This suggests that the AGN may play an important role in galaxy evolution at the late stage of truncation. For the HAEs excluding possible AGNs, we estimate the gas-phase metallicities on the basis of [N II]/Hα ratios, and find that the metallicities of the Hα selected galaxies at z = 2.2 are lower than those of local star-forming galaxies at fixed stellar mass, as shown by previous studies. Moreover, we present and discuss the so-called main sequence of star-forming galaxies at z > 2 based on our unique sample of HAEs. By correlating the level of dust extinction with the location on the main sequence, we find that there are two kinds/modes of dusty star-forming galaxies: starbursting galaxies and metal-rich normal star-forming galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

s-processing in AGB stars revisited. I. Does the main component constrain the neutron source in the {sup 13}C pocket?

Slow neutron captures at A ≳ 85 are mainly guaranteed by the reaction {sup 13}C(α,n){sup 16}O in asymptotic giant branch (AGB) stars, requiring proton injections from the envelope. These were so far assumed to involve a small mass (≲ 10{sup –3} M {sub ☉}), but models with rotation suggest that in such tiny layers excessive {sup 14}N hampers s-processing. Furthermore, s-element abundances in galaxies require {sup 13}C-rich layers substantially extended in mass (≳ 4 × 10{sup –3} M {sub ☉}). We therefore present new calculations aimed at clarifying those issues and at understanding whether the solar composition helps to constrain the {sup 13}C 'pocket' extension. We show that: (1) mixing 'from bottom to top' (as in magnetic buoyancy or other forced mechanisms) can form a {sup 13}C reservoir substantially larger than assumed so far, covering most of the He-rich layers; (2) on the basis of this idea, stellar models at a fixed metallicity reproduce the main s-component as accurately as before; and (3) they make nuclear contributions from unknown nucleosynthesis processes (LEPP) unnecessary, against common assumptions. These models also avoid problems of mixing at the envelope border and fulfil requirements from C-star luminosities. They yield a large production of nuclei below A = 100, so that {sup 86,} {sup 87}Sr may be fully synthesized by AGB stars, while {sup 88}Sr, {sup 89}Y, and {sup 94}Zr are contributed more efficiently than before. Finally, we suggest tests suitable for providing a final answer regarding the extension of the {sup 13}C pocket.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Main-belt asteroids with WISE/NEOWISE: Near-infrared albedos

We present revised near-infrared albedo fits of 2835 main-belt asteroids observed by WISE/NEOWISE over the course of its fully cryogenic survey in 2010. These fits are derived from reflected-light near-infrared images taken simultaneously with thermal emission measurements, allowing for more accurate measurements of the near-infrared albedos than is possible for visible albedo measurements. Because our sample requires reflected light measurements, it undersamples small, low-albedo asteroids, as well as those with blue spectral slopes across the wavelengths investigated. We find that the main belt separates into three distinct groups of 6%, 16%, and 40% reflectance at 3.4 μm. Conversely, the 4.6 μm albedo distribution spans the full range of possible values with no clear grouping. Asteroid families show a narrow distribution of 3.4 μm albedos within each family that map to one of the three observed groupings, with the (221) Eos family being the sole family associated with the 16% reflectance 3.4 μm albedo group. We show that near-infrared albedos derived from simultaneous thermal emission and reflected light measurements are important indicators of asteroid taxonomy and can identify interesting targets for spectroscopic follow-up.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

CARMA LARGE AREA STAR FORMATION SURVEY: STRUCTURE AND KINEMATICS OF DENSE GAS IN SERPENS MAIN

We present observations of N{sub 2}H{sup +} (J = 1 → 0), HCO{sup +} (J = 1 → 0), and HCN (J = 1 → 0) toward the Serpens Main molecular cloud from the CARMA Large Area Star Formation Survey (CLASSy). We mapped 150 arcmin{sup 2} of Serpens Main with an angular resolution of ∼7''. The gas emission is concentrated in two subclusters (the NW and SE subclusters). The SE subcluster has more prominent filamentary structures and more complicated kinematics compared to the NW subcluster. The majority of gas in the two subclusters has subsonic to sonic velocity dispersions. We applied a dendrogram technique with N{sub 2}H{sup +}(1-0) to study the gas structures; the SE subcluster has a higher degree of hierarchy than the NW subcluster. Combining the dendrogram and line fitting analyses reveals two distinct relations: a flat relation between nonthermal velocity dispersion and size, and a positive correlation between variation in velocity centroids and size. The two relations imply a characteristic depth of 0.15 pc for the cloud. Furthermore, we have identified six filaments in the SE subcluster. These filaments have lengths of ∼0.2 pc and widths of ∼0.03 pc, which is smaller than a characteristic width of 0.1 pc suggested by Herschel observations. The filaments can be classified into two types based on their properties. The first type, located in the northeast of the SE subcluster, has larger velocity gradients, smaller masses, and nearly critical mass-per-unit-length ratios. The other type, located in the southwest of the SE subcluster, has the opposite properties. Several YSOs are formed along two filaments which have supercritical mass per unit length ratios, while filaments with nearly critical mass-per-unit-length ratios are not associated with YSOs, suggesting that stars are formed on gravitationally unstable filaments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

GOODS-HERSCHEL: STAR FORMATION, DUST ATTENUATION, AND THE FIR–RADIO CORRELATION ON THE MAIN SEQUENCE OF STAR-FORMING GALAXIES UP TO z ≃ 4

We use deep panchromatic data sets in the GOODS-N field, from GALEX to the deepest Herschel far-infrared (FIR) and VLA radio continuum imaging, to explore the evolution of star-formation activity and dust attenuation properties of star-forming galaxies to z ≃ 4, using mass-complete samples. Our main results can be summarized as follows: (i) the slope of the star-formation rate–M{sub *} correlation is consistent with being constant ≃0.8 up to z ≃ 1.5, while its normalization keeps increasing with redshift; (ii) for the first time we are able to explore the FIR–radio correlation for a mass-selected sample of star-forming galaxies: the correlation does not evolve up to z ≃ 4; (iii) we confirm that galaxy stellar mass is a robust proxy for UV dust attenuation in star-forming galaxies, with more massive galaxies being more dust attenuated. Strikingly, we find that this attenuation relation evolves very weakly with redshift, with the amount of dust attenuation increasing by less than 0.3 mag over the redshift range [0.5–4] for a fixed stellar mass; (iv) the correlation between dust attenuation and the UV spectral slope evolves with redshift, with the median UV slope becoming bluer with redshift. By z ≃ 3, typical UV slopes are inconsistent, given the measured dust attenuations, with the predictions of commonly used empirical laws. (v) Finally, building on existing results, we show that gas reddening is marginally larger (by a factor of around 1.3) than the stellar reddening at all redshifts probed. Our results support a scenario where the ISM conditions of typical star-forming galaxies evolve with redshift, such that at z ≥ 1.5 Main Sequence galaxies have ISM conditions moving closer to those of local starbursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Inference of main ion particle transport coefficients with experimentally constrained neutral ionization during edge localized mode recovery on DIII-D

Abstract The plasma and neutral density dynamics after an edge localized mode are investigated and utilized to infer the plasma transport coefficients for the density pedestal. The Lyman-Alpha Measurement Apparatus (LLAMA) diagnostic provides sub-millisecond profile measurements of the ionization and neutral density and shows significant poloidal asymmetries in both. Exploiting the absolute calibration of the LLAMA diagnostic allows quantitative comparison to the electron and main ion density profiles determined by charge-exchange recombination, Thomson scattering and interferometry. Separation of diffusion and convection contributions to the density pedestal transport are investigated through flux gradient methods and time-dependent forward modeling with Bayesian inference by adaptation of the Aurora transport code and IMPRAD framework to main ion particle transport. Both methods suggest time-dependent transport coefficients and are consistent with an inward particle pinch on the order of 1 m s −1 and diffusion coefficient of 0.05 m 2 s −1 in the steep density gradient region of the pedestal. While it is possible to recreate the experimentally observed phenomena with no pinch in the pedestal, low diffusion in the core and high outward convection in the near scrape-off layer are required without an inward pedestal pinch.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗