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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Phase Relationship and Ionic Conductivity in Na–SrSiO 3 Ionic Conductor

The Na–SrSiO 3 as a potential high‐conductivity ionic conductor for intermediate temperature solid oxide electrochemical cells (SOECs) has drawn much attention recently. Some of these studies questioned the feasibility of Na doping and therefore the creation of oxygen vacancies, while others suggested an alternative phase responsible for the ionic conduction. In this study, a systematic investigation was carried out to understand the ionic conduction in Na–SrSiO 3 . Through in situ high‐temperature X‐ray diffraction, thermal analysis, microstructural characterization, and electrical conductivity measurement, Na–SrSiO 3 was shown as a two‐phase material, one being slightly Na‐doped SrSiO 3 and another being amorphous Na 2 Si 2 O 5 . The former was an electrical insulator whereas the latter was a good ionic conductor. It was also found that the amorphous Na 2 Si 2 O 5 phase was unstable at the temperature ≥500°C, crystallizing into the insulating polycrystalline Na 2 Si 2 O 5 which causes conductivity to “bend‐over” at higher temperatures. A preliminary Ab Initio Molecular Dynamics ( AIMD ) simulation suggested that the amorphous Na 2 Si 2 O 5 be predominantly a Na + conductor.

Jee, Youngseok↗
DOE OSTI2017

Quantifying intermediate-frequency heterogeneities of SOFC electrodes using X-ray computed tomography

The electrodes in solid oxide fuel cells (SOFCs) consist of three phases interconnected in three dimensions. The volume needed to describe quantitatively such microstructures depends on several lengths scales, which are functions of materials properties and fabrication methods. This work focuses on quantifying the volume needed to represent “intermediate frequency” heterogeneities in electrodes of a commercial SOFC using X-ray computed tomography (CT) over two different length scales. Electrode volumes of 150 x 150 x 9 μm 3 were extracted from a synchrotron-based micro-CT data set, with 13 μm 3 voxels. 13.6 x 19.8 x 19.4 μm 3 of the cathode and 26.3 x 24.8 x 15.7 μm 3 of the anode were extracted from laboratory nano-CT data sets, both with 65 3 nm 3 voxels. After comparing the variation across sub-regions for the greyscale values from the micro-CT, and for the phase fractions and triple phase boundary densities from the nano-CT, it was found that the sub-region length scales needed to yield statistically similar average values were an order of magnitude larger than those expected to capture the “high frequency” heterogeneity related to the discrete nature of the three phases in electrodes. In conclusion, the challenge of quantifying such electrodes using available experimental methods is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Transition Metal Nitrides as Promising Catalyst Supports for Tuning CO/H 2 Syngas Production from Electrochemical CO 2 Reduction

The electrochemical carbon dioxide reduction reaction (CO 2 RR) to produce synthesis gas (syngas) with tunable CO/H 2 ratios has been studied by supporting Pd catalysts on transition metal nitride (TMN) substrates. Combining experimental measurements and density functional theory (DFT) calculations, Pd-modified niobium nitride (Pd/NbN) is found to generate much higher CO and H 2 partial current densities and greater CO Faradaic efficiency than Pd-modified vanadium nitride (Pd/VN) and commercial Pd/C catalysts. In-situ X-ray diffraction identifies the formation of PdH in Pd/NbN and Pd/C under CO 2 RR conditions, whereas the Pd in Pd/VN is not fully transformed into the active PdH phase. DFT calculations show that the stabilized *HOCO and weakened *CO intermediates on PdH/NbN are critical to achieving higher CO 2 RR activity. This work suggests that NbN is a promising substrate to modify Pd, resulting in an enhanced electrochemical conversion of CO 2 to syngas with a potential reduction in precious metal loading.

25 ENERGY STORAGE↗
DOE OSTI2019

Determination of Gas-Phase Ion Structures of Locally Polar Homopolymers Through High-Resolution Ion Mobility Spectrometry–Mass Spectrometry

The strong synergy arising from coupling two orthogonal analytical techniques such as ion mobility and mass spectrometry can be used to separate complex mixtures and determine structural information of analytes in the gas phase. A tandem study is performed using two systems with different gases and pressures to ascertain gas-phase conformations of homopolymer ions. Aside from spherical and stretched configurations, intermediate configurations formed by a multiply charged globule and a “bead-on-a-string” appendix are confirmed for polyethylene-glycol (PEG), polycaprolactone (PCL), and polydimethylsiloxane (PDMS). These intermediate configurations are shown to be ubiquitous for all charge states and masses present. For each charge state, configurations evolve in two distinctive patterns: an inverse evolution which occurs as an elementary charge attached to the polymer leaves the larger globule and incorporates itself into the appendage, and a forward evolution which reduces the globule without relinquishing a charge while leaving the appendix relatively constant. Forward evolutions are confirmed to form self-similar family shapes that transcend charge states for all polymers. Identical structural changes occur at the same mass over charge regardless of the system, gas or pressure strongly suggesting that conformations are only contingent on number of charges and chain length, and start arranging once the ion is at least partially ejected from the droplet, supporting a charge extrusion mechanism. Configurational changes are smoother for PDMS which is attributed to the larger steric hindrance caused by protruding pendant groups. This study has implications in the study of the configurational space of more complex homopolymers and heteropolymers. .

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Structural and magnetic properties of the CeCo 5 –CeZn 5 solid solution and potential improvements upon iron substitution

In an effort to create high-performance permanent magnets with reduced critical rare earth content, we explored the CeCo 5-x T x (T = transition metal or metalloid) family of compounds to investigate the effect of substitution on the material’s magnetic properties. In our exploration of the CeCo 5-x Zn x system, we discovered a continuous solid solution at 900 °C between the CeCo 5 and CeZn 5 binary phases with ferromagnetism existing from the CeCo 5 compound to the intermediate CeCo 2.75 Zn 2.25 compound. Single crystal studies were also conducted revealing a relatively large anisotropy field of 11.5 T at 300 K for Ce 0.96 Ta 0.04 Co 4.35 Zn 0.65 . Here, the addition of iron Ce 0.79 Ta 0.07 Co 3.77 Fe 0.89 Zn 0.47 yielded further increases in Curie temperature and saturation magnetization to 800 K and 85.5 emu/g, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Restricted Rotational Flexibility of the C5α-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase

Carbapenem antibiotics are used as a last-resort treatment for infections caused by multidrug-resistant bacteria. The wide spread of carbapenemases in Gram-negative bacteria has severely compromised the utility of these drugs and represents a serious public health threat. To combat carbapenemase-mediated resistance, new antimicrobials and inhibitors of these enzymes are urgently needed. Here, we describe the interaction of the atypically C5α-methyl-substituted carbapenem, NA-1-157, with the GES-5 carbapenemase. MICs of this compound against Escherichia coli, Klebsiella pneumoniae, and Acinetobacter baumannii producing the enzyme were reduced 4–16-fold when compared to MICs of the commercial carbapenems, reaching clinically sensitive breakpoints. When NA-1-157 was combined with meropenem, a strong synergistic effect was observed. Kinetic and ESI-LC/MS studies demonstrated that NA-1-157 is a potent inhibitor of GES-5, with a high inactivation efficiency of (2.9 ± 0.9) × 105 M –1 s –1 . Acylation of GES-5 by NA-1-157 was biphasic, with the fast phase completing within seconds, and the slow phase taking several hours and likely proceeding through a reversible tetrahedral intermediate. Deacylation was extremely slow (k 3 = (2.4 ± 0.3) × 10 –7 s –1 ), resulting in a residence time of 48 ± 6 days. MD simulation of the GES-5-meropenem and GES-5-NA-1-157 acyl-enzyme complexes revealed that the C5α-methyl group in NA-1- 157 sterically restricts rotation of the 6α-hydroxyethyl group preventing ingress of the deacylating water into the vicinity of the scissile bond of the acyl-enzyme intermediate. Furthermore, these data demonstrate that NA-1-157 is a potent irreversible inhibitor of the GES-5 carbapenemase.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

EuNi 5 InH 1.5-x (x = 0–1.5): hydrogen induced structural and magnetic transitions

The new quaternary hydride EuNi 5 InH 1.5 has been obtained by hydrogenation of the intermetallic parent EuNi5In under extremely mild conditions, hence, at room temperature and low hydrogen pressure. Hydrogenation at slightly elevated temperatures and pressures allows for the growth of large crystals, which is a rare observation for intermetallic hydrides. EuNi 5 InH 1.5 crystallizes in its own structure type ( hP 17, P6¯m2 , a = 4.9437(6), c = 10.643(1) Å) with a unique arrangement of the intermetallic host. The hydrogen atoms prefer Ni-surrounded positions, occupying {EuNi 3 } and {Eu 2 Ni 2 } tetrahedral voids in the structure. Upon hydrogenation of EuNi 5 In an anisotropic volume expansion accompanied with a decrease of symmetry is observed. Magnetic measurements reveal antiferromagnetic ordering in the hydride below 4 K and indicate an intermediate +II/+III oxidation state for Eu both in the intermetallic phase and the hydride. X-ray photoemission spectroscopy confirms the existence of the two different oxidation states of Eu. The hydrogenation does not affect the oxidation state of Eu and the type of magnetic ordering, but exerts a strong influence on the transition temperature, crystal structure, mechanical and electrical properties. Crystallographic analysis suggests that Eu(II) and Eu(III) do not order but rather mix homogeneously on crystallographic sites. Electronic structure calculations reveal the metallic character of the hydride with several different types of chemical bonding interactions being present in the compound ranging from the formally ionic Eu–H to covalent Ni–H and delocalized metal–metal. As a result, geometry optimization confirm the thermodynamic instability of the intermetallic host lattice for the hydride and supports a transformation into the parental structure as observed experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Controlled Fluidization, Mobility, and Clogging in Obstacle Arrays Using Periodic Perturbations

Here, we show that the clogging susceptibility and flow of particles moving through a random obstacle array can be controlled with a transverse or longitudinal ac drive. The flow rate can vary over several orders of magnitude, and we find both an optimal frequency and an optimal amplitude of driving that maximizes the flow. For dense arrays, at low ac frequencies, a heterogeneous creeping clogged phase appears in which rearrangements between different clogged configurations occur. At intermediate frequencies, a high-mobility fluidized state forms, and, at high frequencies, the system reenters a heterogeneous frozen clogged state. These results provide a technique for optimizing flow through heterogeneous media that could also serve as the basis for a particle separation method.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Indentation cracking behaviour and structures of nanophase separation of glasses

Correlative microscopy is used to compare the performance and nanophase structures of soda–lime–silica, fused silica and borosilicate glasses using Vickers indentation crack analysis and the transmission electron microscopy (TEM) Fresnel contrast method. In this paper, it is found that the observed indentation cracking behaviour is correlated to the nanophase separation structure of these glasses. The so-called "normal" cracking behaviour of soda–lime–silica glass is influenced by its spinodal nanophase separation; while the "anomalous" cracking behaviour of fused silica is due to the uniform single phase structure. Borosilicate glass has a droplet nanophase separation and shows "intermediate" cracking behaviour. Finally, these results indicate that in order to produce low brittleness glasses it is important to control nanophase separation structure of a glass.

36 MATERIALS SCIENCE↗
DOE OSTI2016

EVOLUTION OF INTERMEDIATE-MASS X-RAY BINARIES DRIVEN BY THE MAGNETIC BRAKING OF AP/BP STARS. I. ULTRACOMPACT X-RAY BINARIES

It is generally believed that ultracompact X-ray binaries (UCXBs) evolved from binaries consisting of a neutron star accreting from a low-mass white dwarf (WD) or helium star where mass transfer is driven by gravitational radiation. However, the standard WD evolutionary channel cannot produce the relatively long-period (40–60 minutes) UCXBs with a high time-averaged mass-transfer rate. In this work, we explore an alternative evolutionary route toward UCXBs, where the companions evolve from intermediate-mass Ap/Bp stars with an anomalously strong magnetic field (100–10,000 G). Including the magnetic braking caused by the coupling between the magnetic field and an irradiation-driven wind induced by the X-ray flux from the accreting component, we show that intermediate-mass X-ray binaries (IMXBs) can evolve into UCXBs. Using the MESA code, we have calculated evolutionary sequences for a large number of IMXBs. The simulated results indicate that, for a small wind-driving efficiency f = 10{sup −5}, the anomalous magnetic braking can drive IMXBs to an ultra-short period of 11 minutes. Comparing our simulated results with the observed parameters of 15 identified UCXBs, the anomalous magnetic braking evolutionary channel can account for the formation of seven and eight sources with f = 10{sup −3}, and 10{sup −5}, respectively. In particular, a relatively large value of f can fit three of the long-period, persistent sources with a high mass-transfer rate. Though the proportion of Ap/Bp stars in intermediate-mass stars is only 5%, the lifetime of the UCXB phase is ≳2 Gyr, producing a relatively high number of observable systems, making this an alternative evolutionary channel for the formation of UCXBs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The highly ionized circumgalactic medium is kinematically uniform around galaxies

The circumgalactic medium (CGM) traced by O vi λλ1031,1037 doublet absorption has been found to concentrate along the projected major and minor axes of the host galaxies. This suggests that O vi traces accreting and outflowing gas, respectively, which are key components of the baryon cycle of galaxies. We investigate this further by examining the kinematics of 29 O vi absorbers associated with galaxies at 0.13<z{sub gal}<0.66 as a function of galaxy color, inclination, and azimuthal angle. Each galaxy was imaged with the Hubble Space Telescope (HST), and the absorption was detected in COS/HST spectra of nearby (D<200 kpc) background quasars. We use the pixel-velocity two-point correlation function to characterize the velocity spread of the absorbers, which is a method used previously for a sample of Mg ii absorber–galaxy pairs. The absorption velocity spread for O vi is more extended than Mg ii, which suggests that the two ions trace differing components of the CGM. Again, in contrast to Mg ii, the O vi absorption velocity spreads are similar regardless of galaxy color, inclination, and azimuthal angle. This indicates that the kinematics of the high-ionization gas is not strongly influenced by the current star formation activity in the galaxy. The kinematic homogeneity of O vi absorption and its tendency to be observed mainly along the projected galaxy major and minor axes is likely due to varying ionization conditions and gas densities about the galaxy. Gas in intermediate azimuthal angles may be ionized out of the O vi phase, possibly resulting in an azimuthal angle dependence of the distribution of gas in higher ionization states.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1974

Variable-beamwidth monopulse antennas

The merits of nine methods for zooming microwave amplitude-sensing monopulse antenna patterns are discussed. Of these, six are directly related to the TDRSS (Tracking Data Relay Satellite System) and are compatible with a deployable-mesh pseudo-paraboloidal main reflector. The remaining three methods utilize radically different geometrical configurations that depart considerably from the TDRSS parameters existing at this time. Preservation of the monopulse postulates is considered to be of prime importance for any variable-beamwidth candidate, however, it is allowed that approximate satisfaction of the postulates should be accepted for practical reasons. All of the methods discussed admit free choice of the polarization state, and the zooming function is never predicated on polarization. Exploration of the zooming techniques was carried out almost entirely by means of the Kirchhoff-Kottler vector diffraction program. The program generates electric and magnetic field intensity, associated phase, and time-average Poynting vector power flow in the intermediate near-field and far-field zones in both receive and transmit modes of operation. A few of the concepts have been verified experimentally with excellent agreement between theory and practice.

Schmidt, R. F.↗
NASA NTRS1977

Sputtering in interstellar shocks - A model for heavy element depletion

High-velocity (at least 100 km/s) shock fronts are found to provide an environment where grains can be destroyed by thermal sputtering. Application is made to supernova remnants. Sputtering of refractory grains in shocks associated with high-velocity clouds leads to cosmic abundances of heavy elements and if followed by deceleration of the high-velocity gas and dilution with ambient depleted matter. A correlation of depletion with systematic velocity is predicted. It is proposed that there is a residual underlying depletion associated with refractory grain formation and a subsequent trapping of gas-phase metallic species by adsorption. Sputtering of adsorbed monolayers in intermediate-velocity shocks (not exceeding 50 km/s) can account for a range of depletions in diffuse interstellar matter.

Barlow, M. J.↗
NASA NTRS2004

Phase Coherent Timing of the Ultra-compact Candidates V407 Vul and RX J0806.3+1527

I report on the results of ongoing campaigns with Chandra to precisely time the X-ray pulsations from two candidate ultra-compact white dwarf systems; V407 Vu1 and RX J0806.3+1527. If these objects are ultra-compact binaries, then the gravitational radiation-driven evolution of the orbital period can be probed with precise X-ray timing observations. Recent Chandra data have confirmed that the X-ray frequency of V407 Vu1 is increasing at a mean rate of about 8 x 10-18 Hz s-1, a value consistent with loss of gravitational radition from the system. However, the frequency derivative, X-ray variability and phase timing noise could also be explained in an accretion driven, intermediate polar scenario. Previous studies suggested that RX J0806.3+1527 is spinning up at an even faster rate than V407 Vul, however, preliminary analysis of Chandra data do not confirm this. Indeed, the present evidence suggests we may be seeing a torque reversal in this source.

Strohmayer, T. E.↗
NASA NTRS2018

Connecting Satellite-Based Precipitation Estimates to Users

Beginning in 1997, the Merged Precipitation Group at NASA Goddard has distributed gridded global precipitation products built by combining satellite and surface gauge data. This started with the Global Precipitation Climatology Project (GPCP), then the Tropical Rainfall Measuring Mission (TRMM) Multi-satellite Precipitation Analysis (TMPA), and recently the Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement (GPM) mission (IMERG). This 20+-year (and on-going) activity has yielded an important set of insights and lessons learned for making state-of-the-art precipitation data accessible to the diverse communities of users. Merged-data products critically depend on the input sensors and the retrieval algorithms providing accurate, reliable estimates, but it is also important to provide ancillary information that helps users determine suitability for their application. We typically provide fields of estimated random error, and recently reintroduced the quality index concept at user request. Also at user request we have added a (diagnostic) field of estimated precipitation phase. Over time, increasingly more ancillary fields have been introduced for intermediate products that give expert users insight into the detailed performance of the combination algorithm, such as individual merged microwave and microwave-calibrated infrared estimates, the contributing microwave sensor types, and the relative influence of the infrared estimate.

Huffman, George J.↗