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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2B10H9O by Materials Project

K2B4H4OB5H4BH crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four boranediylradical molecules, two B5H4 clusters, and two K2B4H4O clusters. In each B5H4 cluster, there are five inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–B bond length is 1.76 Å. The B–H bond length is 1.20 Å. In the second B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–B bond length is 1.74 Å. The B–H bond length is 1.20 Å. In the third B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–B bond length is 1.75 Å. The B–H bond length is 1.20 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one B and one H atom. The B–B bond length is 1.75 Å. The B–H bond length is 1.20 Å. In the fifth B site, B is bonded in a 5-coordinate geometry to five B atoms. The B–B bond length is 1.65 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted single-bond geometry to one B atom. In the second H site, H is bonded in a distorted single-bond geometry to one B atom. In the third H site, H is bonded in a single-bond geometry to one B atom. In the fourth H site, H is bonded in a single-bond geometry to one B atom. In each K2B4H4O cluster, there are two inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to one O atom. The K–O bond length is 2.66 Å. In the second K site, K is bonded in a 1-coordinate geometry to five H and one O atom. There are a spread of K–H bond distances ranging from 2.67–2.96 Å. The K–O bond length is 2.62 Å. There are four inequivalent B sites. In the first B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the second B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.20 Å. In the third B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. In the fourth B site, B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.21 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted single-bond geometry to one K and one B atom. In the second H site, H is bonded in a distorted single-bond geometry to two equivalent K and one B atom. In the third H site, H is bonded in a distorted single-bond geometry to one K and one B atom. In the fourth H site, H is bonded in a single-bond geometry to one K and one B atom. O is bonded in a bent 120 degrees geometry to two K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Particle configurations in the $NN\bar K$ system

Three-body AAB model for the $NN\bar K$(s NN = 0) kaonic cluster is considered based on the configuration space Faddeev equations. Within a single channel approach, the difference between masses of nucleons and kaons and the charge independence breaking of nucleon-nucleon interaction are taken into consideration. We definite the particle configurations in the system according to the particle masses and pair potentials. There are two sets of the particle configurations, ppK¯, npK¯ 0 and nnK¯ 0 , npK¯, charged and neutral. The three-body calculations are performed by applying NN and NK¯ phenomenological isospin-dependent potentials. The mass and energy spectra related to the particle configurations are presented. We evaluate the mass and energy uncertainties for the NNK¯ model. As a result, an analogy to NNN model for the 3 H and 3 He nuclei is proposed.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1986

The X-ray spectrm of the Coma Cluster of galaxies

The HEAO 1 A-2 and OSO 8 observations of the Coma Cluster of galaxies in the 2-60 keV energy band are presented. The spectrum is not well fitted by an isothermal bremsstrahlung model with an Fe line. To model the spectrum more accurately, we have performed fits of polytropic models and find that the gas is well fitted by an equation of state with polytropic index ranging between 1.38 and 1.6. This analysis reduces the total cluster mass by a factor of 3-5 below the optically derived virial mass. Using the best-fitting parameters, the gas is found to be a significant fraction (25 percent) of the total cluster mass. The Fe K-alpha line blend is strongly detected, from which we infer 0.18-0.36 solar abundance in the X-ray emitting gas. The Fe K-beta line blend is also weakly detected. The spectrum is not consistent with the existence of a hard X-ray tail at the flux level reported by Bazzano el al. (1984). In addition, the HEAO I scanning mode data place strong constraints on possible contaminating sources in the region surrounding Coma.

Henriksen, M. J.↗
NASA NTRSDate not supplied

Suited User Incident Tracking System

The Suited User Incident Tracking System (SUITS) tracks all suited exposures during terrestrial analog simulations and trainings with the objective of recording any related issues, pains, or discomforts that arise from the exposure. This information is vital for informing where, how, and why issues are occurring during suited extravehicular activity (EVA) training and operations. The outputs of SUITS will be the foundation for the newly formed Suited Anomaly Assessment Team (SAAT) which consists of a broad range of EVA stakeholders including suit engineers, biomechanists, ergonomists, flight surgeons, athletic trainers, and physiologists. This team has been formed to provide robust, wholistic solutions to suit anomalies and issues identified by SUITS. SUITS data collected from September 2017 to June 2022 was analyzed for issue frequency and severity for each body location and plotted to visualize where issues were occurring. Clustering techniques using a k-modes approach were also applied to the data set to generate profiles of populations that experienced issues in the suit and populations that did not. A key finding identified by the SUITs analysis was that suited issues translate from predominantly upper body areas in microgravity space suits and associated analog simulations to lower body areas in planetary space suits and analog simulations. In addition, specific injury frequency and severity metrics were identified that will help drive requirements for commercially provided space suits. The SAAT will continue to meet on a biannual basis to identify trends in issues and injuries from the SUITS database to evaluate and develop solution strategies where needed for the purposes of suit design, EVA operations optimization, injury characterization and mitigation, and personalized improvements for human-suit interactions.

K. Dolick↗
NASA NTRSDate not supplied

EVA SPACESUIT INCIDENCE TRACKING

INTRODUCTION: Extravehicular Activity (EVA)suit-related injuries to crew during training and inflight operations are not uncommon. Systematic tracking of these issues has waxed and waned throughout NASA’s history. Given two new EVA suits in development and an increase in EVA training, the need for dutiful recording of this data is critical. The Suited User Incident Tracking System (SUITS) was developed in the last decade to track all suited exposures, recording exposure details and any related issues, pains, or injuries that arise. METHODS: SUITS data collected from 2017 to 2022 was analyzed for issue frequency and severity for each body location and plotted to visualize where issues were occurring. Clustering techniques using a k-modes approach were also applied to the data set to generate profiles of populations that experienced issues in the suit, and populations that did not. RESULTS:A key finding from SUITS is that discomfort and pain observed in the new planetary spacesuits are occurring in new body locations than those experienced in the microgravity space suit (Extravehicular Mobility Unit (EMU)).To date, the lower body and torso regions account for most pain reports in planetary spacesuits whereas most reports in EMU were shoulders and hands. DISCUSSION:SUITS will continue to be used to capture exposures for all suit types. As training suit availability improves and training cadence increases in preparation for planetary missions, it is critical to capture and assess all suit incidences. Further, a Suited Anomaly Assessment Team (SAAT) consisting of a broad range of EVA stakeholders was formed to share and act on SUITS data with the goal of developing robust solutions to issues/injuries as they arise. Understanding the types and locations of injuries that occur during suited operations will help inform future work related to EVA fitness training requirements, suit design, and modeling efforts to avoid injury. LEARNING OBJECTIVES: 1. Systematic tracking of suited exposures and issues is critical for understanding the complex interaction between the human and the EVA spacesuit. 2. As EVA suit issues/injuries arise it is important to share that data with a broad group to ensure robust strategies are developed.

N Newby↗
NASA NTRS1993

Infrared images of the young cluster NGC 2264

Initial results of an extensive IR imaging survey of the young cluster NGC 2264 and a nearby galactic control field are presented. A large portion of the cluster was imaged in each of the three standard near-IR colors (J, H, and K) with an IR array camera. On the basis of a comparison of these observations, the size of the cluster population is estimated, and the nature of its members is investigated. The cluster is found to contain 360 +/- 130 members. The slope of the K luminosity function of the cluster is significantly steeper than that expected for a cluster of ZAMS stars, and appears to flatten out or turn over at an apparent K magnitude of roughly 13.0-14.0. An analysis of the JHK color-color diagrams of the cluster and control fields shows that approximately 170 sources observed toward the cluster have colors indicative of intrinsic excess IR emission.

Lada, Charles J.↗
DOE OSTI2021

Activity of Cu-Al-oxo extra-framework clusters for selective methane oxidation on Cu exchanged zeolites

Cu-zeolites are able to directly convert methane to methanol via a 3-step process using O2 as oxidant. Among the different zeolite topologies, Cu-exchanged mordenite (MOR) shows the highest methanol yields, attributed to a preferential formation of active Cu-oxo species in its 8-MR pores. The presence of extra-framework or partially detached Al species entrained in the micropores of MOR leads to the formation of nearly homotopic redox active Cu-Al-oxo nanoclusters with the ability to activate CH4. Studies of the activity of these sites together with characterization by 27Al NMR and IR spectroscopy leads to the conclusion that the active species are located in the 8-MR side pockets of MOR and it consists of two Cu ions and one Al linked by O. This Cu-Al oxo cluster shows an activity per Cu in methane oxidation significantly higher than of any previ-ously reported active Cu-oxo species. In order to determine unambiguously the structure of the active Cu-Al-oxo cluster, we combine experimental XANES of Cu K- and L- edges, Cu K-edge HERFD-XANES and Cu K-edge EXAFS with TDDFT and AIMD-assisted simulations. Our results provide evidence of a [Cu2AlO3]2+ cluster exchanged on MOR Al pairs that is able to oxidize up to two methane molecules per cluster at ambient pressure.

Methane oxidation, Cu L3-edge XANES, HERFD, TDDFT,↗
DOE OSTI2024

Analysis of twelve genomes of the bacterium Kerstersia gyiorum from brown-throated sloths ( Bradypus variegatus ), the first from a non-human host

Kerstersia gyiorum is a Gram-negative bacterium found in various animals, including humans, where it has been associated with various infections. Knowledge of the basic biology of K. gyiorum is essential to understand the evolutionary strategies of niche adaptation and how this organism contributes to infectious diseases; however, genomic data about K. gyiorum is very limited, especially from non-human hosts. In this work, we sequenced 12 K. gyiorum genomes isolated from healthy free-living brown-throated sloths (Bradypus variegatus) in the Parque Estadual das Fontes do Ipiranga (São Paulo, Brazil), and compared them with genomes from isolates of human origin, in order to gain insights into genomic diversity, phylogeny, and host specialization of this species. Phylogenetic analysis revealed that these K. gyiorum strains are structured according to host. Despite the fact that sloth isolates were sampled from a single geographic location, the intra-sloth K. gyiorum diversity was divided into three clusters, with differences of more than 1,000 single nucleotide polymorphisms between them, suggesting the circulation of various K. gyiorum lineages in sloths. Genes involved in mobilome and defense mechanisms against mobile genetic elements were the main source of gene content variation between isolates from different hosts. Sloth-specific K. gyiorum genome features include an IncN2 plasmid, a phage sequence, and a CRISPR-Cas system. The broad diversity of defense elements in K. gyiorum (14 systems) may prevent further mobile element flow and explain the low amount of mobile genetic elements in K. gyiorum genomes. Gene content variation may be important for the adaptation of K. gyiorum to different host niches. This study furthers our understanding of diversity, host adaptation, and evolution of K. gyiorum, by presenting and analyzing the first genomes of non-human isolates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

WIYN Open Cluster Study LXXIX. M48 (NGC 2548) I. Radial Velocities, Rotational Velocities, and Metallicities of Stars in the Open Cluster M48 (NGC 2548)

WIYN/Hydra spectra (R ∼ 13,500, signal-to-noise pixel{sup −1} = 50–1000) of a 400 Å region around Li 6708 Å are used to determine radial and rotational velocities for 287 photometrically selected candidate members of the open cluster M48. The sample ranges from turnoff A stars to late-K dwarfs and eight giants. We combine our V {sub RAD} measurements and power spectrum analysis with parallax and proper motion data from Gaia DR2 to evaluate membership and multiplicity. We classify 152 stars as single cluster members, 11 as binary members, 16 as members of uncertain multiplicity, 56 as single nonmembers, 28 as single “likely” nonmembers, two as single “likely” members, one as a binary “likely” member, five as binary nonmembers, 10 as “likely” members of uncertain multiplicity, three as nonmembers of uncertain multiplicity, and three as “likely” nonmembers of uncertain multiplicity. From a subsample of 95 single members, we derive V {sub RAD} = 8.512 ± 0.087 km s{sup −1} (σ {sub μ}, and σ = 0.848 km s{sup −1}). Using 16 isolated Fe I lines for a subsample of 99 single members (that have σ{sub T{sub e{sub f{sub f}}}}<75 K (from 10 colors from UBVRI), v sin i < 25 km s{sup −1}, and well-behaved Fe I lines), [Fe/H]{sub M48} = −0.063 ± 0.007 dex (σ {sub μ}). [Fe/H] is independent of T {sub eff} over an unprecedentedly large range of 2500 K. The minimum cluster binary fraction is 11%–21%. M48 exhibits a clear but modest broadening of the main-sequence turnoff, and there is no correlation between color and v sin i.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Reagent-Triggered Isomerization of Fluxional Cluster Catalyst via Dynamic Coupling

Metallic cluster catalysts have many thermodynamically accessible isomers with diverse active sites and low reaction barriers, and lately a strong hypothesis emerged that the many catalyst states collectively drive the catalysis. Furthermore, it remained a hypothesis that catalyst isomerization is actually kinetically feasible under the current reaction conditions. Using high-temperature dynamics simulations and sampling, a range of orientations, and vibrational energy distributions, we probe how thermal effects and molecular events affect cluster catalyst dynamics. We show that even such a delicate affair as the dissociation or scattering of a methane molecule on the heavy and thus slow Pt 13 cluster triggers substantial isomerization of the catalyst, far beyond thermal at 700 K. A kinetic coupling between the methane activity and cluster catalyst dynamics is observed. In return, the thermal dynamics of the cluster affects the methane reaction and scattering probabilities. Hence, molecular events at the surfaces of fluxional cluster catalysts should facilitate the population of an ensemble of catalyst states under the current reaction conditions, with implications for available active sites, reaction mechanisms, and apparent rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Spectroscopy of chromospheric lines of giants in the globular cluster

Spectroscopic observations of chromospheric transitions (Mg II, H-alpha, and Ca II K) from two red giants (A31 and A59) in the globular cluster NGC 6572 were made with the Goddard High Resolution Spectrograph on the Hubble Space Telescope and the coude spectrograph of the 1.9 m telescope at the Mount Stromlo Observatory. These measurements give evidence for chromospheric activity and outward motions within the atmospheres. The surface flux of the Mg II emission is comparable to that in disk population giants of similar (B-V) color. The Mg II profiles are asymmetric, which is most likely caused by absorption in an expanding stellar atmosphere and/or by possible interstellar features. Notches are found in the core of the H-alpha line of A59, which are similar to those found in Cepheids. This suggests that shocks are present in the atmosphere of A59 and indicates that hydrodynamic phenomena are influencing the levvel of chromospheric emission and producing upper atmospheric motions which may lead to mass loss.

Dupree, A. K.↗
DOE OSTI2024

p K a of alcohols dictates their reactivity with reduced uranium-substituted thiomolybdate clusters

The uranium-substituted thiomolybdate cluster, (Cp* 3 Mo 3 S 4 )UCp*, has been demonstrated as a model for water reduction by single uranium atoms supported on a molybdenum sulfide surface (U@MoS 2 ). In this study, the scope of O–H bond activation is expanded through the investigation of the reactivity of various alcohols with differing pKa values for the –OH proton. The reaction of (Cp* 3 Mo 3 S 4 )UCp* with stoichiometric amounts of methanol, phenol, 2,6-dichlorophenol, and nonafluoro-tert-butyl alcohol affords the corresponding mono-alkoxide species, (Cp* 3 Mo 3 S 4 )Cp*U(OR), via a uranium-metalloligand cooperative activation of the O–H bond. This observed reactivity is analogous to the O–H bond activation reported by (Cp* 3 Mo 3 S 4 )UCp* in the presence of water. However, addition of tert-butanol induces protonolysis of the Cp* ligand on uranium, resulting in the formation of a uranium tris-tert-butoxide cluster, (Cp* 3 Mo 3 S 4 )U(O t Bu) 3 . Independent synthesis of (Cp* 3 Mo 3 S 4 )Cp*U(O t Bu) was possible via an alternative pathway, eliminating sterics as a justification for the observed discrepancy in reactivity. Furthermore, these results offer insight into the role the –OH proton pKa plays in dictating the mechanism of O–H bond activation of alcohols by the uranium-substituted thiomolybdate cluster.

Patra, Kamaless↗
DOE OSTI2020

Thermonuclear reaction rate of 30 Si($p, γ$) 31 P

Silicon synthesis in high-temperature hydrogen burning environments presents one possible avenue for the study of abundance anomalies in globular clusters. This was suggested in a prior study, which found that the large uncertainties associated with the Si 30 ( p , γ ) P 31 reaction rate preclude a firm understanding of the stellar conditions that give rise to the Mg-K anticorrelation observed in the globular cluster NGC 2419. In an effort to improve the reaction rate, we present new strength measurements of the E r lab = 435 keV and E r lab = 501 keV resonances in Si 30 ( p , γ ) P 31 . For the former, which was previously unobserved, we obtain a resonance strength of ω γ = ( 1.14 ± 0.25 ) × 10 – 4 eV. For the latter, we obtain a value of ω γ = ( 1.88 ± 0.14 ) × 10 – 1 eV, which has a smaller uncertainty compared to previously measured strengths. Based on these results, the thermonuclear reaction rate has been re-evaluated. The impact of the new measurements is to lower the reaction rate by a factor of ≈ 10 at temperatures important to the study of NGC 2419. The rate uncertainty at these temperatures has also been reduced significantly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Analysis of Mossbauer Fe-57 absorption in an F.C.C. Fe-Co-V alloy

Mossbauer Fe-57 absorption spectra of superparamagnetic F.C.C. Fe sub .34 Co sub .52 V sub 14 (Vicalloy II) have been analyzed using a cluster model and magnetic resonance relaxation theory. The number and magnetic moment of the clusters were determined from magnetization data. A least squares fit to the spectrum at 4.2 K gives sub Hhyp = 175. kG, substantially greater than the value 55 kG inferred just from the observed broadening of the single line spectrum. From this broadening an estimate of 40 kG is obtained for the width of the distribution in Hhyp at 4.2 K arising from compositional fluctuations sub and small cluster effects.

Bambakidis, G.↗
NASA NTRS1994

Predicted optical/ultraviolet line fluxes for the warm absorber in Abell 2256

Recently Miyaji et al. (1993) detected excess soft X-ray absorption in the Broad Band X Ray Telescope (BBXRT) spectrum of the cluster A2256. The absorption was due to the K-edge of oxygen; from the observed edge energy and the redshift of the cluster, Miyaji et al. argued that the primary absorber was oxygen in an ionization state between O(+2) and O(+4) at a temperature in the range 0.5-5 x 10(exp 5) K. Such gas should produce strong UV and optical line emission. We predict the strongest UV and optical line fluxes for this X-ray absorbing gas. The strongest UV lines include Lyman-alpha, C III lambda-1909, C IV lambda-1549, O IV lambda-1401, O V lambda-1218, O VI lambda-1034, Si III lambda-1207, and Si IV lambda-1397 lines. These lines should be detectable with the International Ultraviolet Explorer, the Hubble Space Telescope, or the Hopkins Ultraviolet Telescope. In the optical the lines are weaker, but the (O II) lambda lambda-3726, 3729, (O III) lambda lambda-4959, 5007, (N II) lambda lambda-6567, 6584, (Ne III) lambda lambda-3918, 3969, (S II) lambda-6720, and (S III) lambda-9320 lines should be detected with moderate exposures if the warm absorber is near the lower limit of the allowed temperature range, T less than or approximately equal to 1.5 x 10(exp 5) K. In this limit the H-alpha and (S III) lambda-3720 lines will require longer exposure times, but should be detectable as well.

Pistinner, Shlomi↗
DOE OSTI2021

Low-metallicity Young Clusters in the Outer Galaxy. III. Sh 2-127

In deep near-infrared imaging of the low-metallicity ([O/H] = −0.7 dex) H ii region Sh 2-127 (S127) with Subaru/MOIRCS, we detected two young clusters with 413 members (S127A) in a slightly extended H ii region and another with 338 members (S127B) in a compact H ii region. The limiting magnitude was K = 21.3 mag (10σ), corresponding to a mass detection limit of ∼0.2 M{sub ⊙}. These clusters are an order of magnitude larger than previously studied young low-metallicity clusters and larger than the majority of solar neighborhood young clusters. Fits to the K-band luminosity functions indicate very young cluster ages of 0.5 Myr for S127A and 0.1–0.5 Myr for S127B, consistent with the large extinction (up to A {sub V} ≃ 20 mag) from thick molecular clouds and the presence of a compact H ii region and class I source candidates, and suggest that the initial mass function (IMF) of the low-metallicity clusters is indistinguishable from typical solar neighborhood IMFs. Disk fractions of 28% ± 3% for S127A and 40% ± 4% for S127B are significantly lower than those of similarly aged solar neighborhood clusters (∼50%–60%). The disk fraction for S127B is higher than those of previously studied low-metallicity clusters (<30%), probably due to S127B’s age. This suggests that a large fraction of very young stars in low-metallicity environments have disks, but the disks are lost on a very short timescale. These results are consistent with our previous studies of low-metallicity star-forming regions, suggesting that a solar neighborhood IMF and low disk fraction are typical characteristics for low-metallicity regions, regardless of cluster scales.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Near-infrared colors of submillimeter-selected galaxies

We report on deep near-infrared (NIR)observations of submillimeter-selected galaxies (SMGs) with the Near-Infrared Camera (NIRC) on the Keck I telescope. We have identified K-band candidate counterparts for 12 out of 15 sources in the SCUBA Cluster Lens Survey. Three SMGs remain nondetections with K-band limits of K > 23 mag, corrected for lensing. Compensating for lensing, we find a median magnitudeof K = 22 ± 1 mag for the SMG population, but the range of NIR flux densities spans more than a factor of 400.

galaxies↗