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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 19 records

Seismic anisotropy of the D'' layer induced by (001) deformation of post-perovskite

Crystallographic preferred orientation (CPO) of post-perovskite (Mg,Fe)SiO 3 (pPv) has been believed to be one potential source of the seismic anisotropic layer at the bottom of the lower mantle (D'' layer). However, the natural CPO of pPv remains ambiguous in the D'' layer. Here we have carried out the deformation experiments of pPv-(Mg 0.75 ,Fe 0.25 )SiO 3 using synchrotron radial X-ray diffraction in a membrane-driven laser-heated diamond anvil cell from 135 GPa and 2,500 K to 154 GPa and 3,000 K. Our results show that the intrinsic texture of pPv-(Mg 0.75 ,Fe 0.25 )SiO 3 should be (001) at realistic P–T conditions of the D'' layer, which can produce a shear wave splitting anisotropy of ~3.7% with V SH >V SV . Considering the combined effect of both pPv and ferropericlase, we suggest that 50% or less of deformation is sufficient to explain the origin of the shear wave anisotropy observed seismically in the D'' layer beneath the circum-Pacific rim.

58 GEOSCIENCES↗

Coordinated Satellite Observations of the Very Low Frequency Transmission Through the Ionospheric D Layer at Low Latitudes, Using Broadband Radio Emissions from Lightning

Both ray theory and full-wave models of very low frequency transmission through the ionospheric D layer predict that the transmission is greatly suppressed near the geomagnetic equator. We use data from the low-inclination Communication/Navigation Outage Forecast System satellite to test this semiquantitatively, for broadband very low frequency emissions from lightning. Approximate ground-truthing of the incident wavefields in the Earth-ionosphere waveguide is provided by the World Wide Lightning Location Network. Observations of the wavefields at the satellite are provided by the Vector Electric Field Instrument aboard the satellite. The data set comprises whistler observations with the satellite at magnetic latitudes<26deg. Thus, our conclusions, too, must be limited to the near-equatorial region and are not necessarily predictive of midlatitude whistler properties. We find that in most broadband recordings of radio waves at the satellite, very few of the lightning strokes result in a detectable radio pulse at the satellite. However, in a minority of the recordings, there is enhanced transmission of very low frequency lightning emissions through the D layer, at a level exceeding model predictions by at least an order of magnitude. We show that kilometric-scale D-layer irregularities may be implicated in the enhanced transmission. This observation of sporadic enhancements at low magnetic latitude, made with broadband lightning emissions, is consistent with an earlier review of D-layer transmission for transmission from powerful man-made radio beacons.

Jacobson, Abram R.↗

Tunable exciton binding energy in 2D hybrid layered perovskites through donor–acceptor interactions within the organic layer

The strength of electrostatic interactions within semiconductors strongly affects their performance in optoelectronic devices. An important target is the tuning of a material’s exciton binding energy—the energy binding an electron–hole pair through the electrostatic Coulomb force—independent of its electronic band gap. Here, we report on the doping of a family of two-dimensional hybrid perovskites, in which inorganic lead halide sheets alternate with naphthalene-based organic layers, with tetrachloro-1,2-benzoquinone (TCBQ). For four out of seven n = 1 perovskites, the incorporation of the electron-accepting TCBQ dopant into the organic sublattice containing the electron-donating naphthalene species enabled the tuning of the materials’ 1s exciton binding energy. The naphthalene–TCBQ electron donor–acceptor interactions increased the electrostatic screening of the exciton, in turn lowering its binding energy relative to the undoped perovskite—by almost 50% in one system. Structural and optical characterization showed that the inorganic lattice is not significantly perturbed even though the layer-to-layer spacing increases upon molecular dopant incorporation.

36 MATERIALS SCIENCE↗

Unlocking anionic redox activity in O3-type sodium 3 d layered oxides via Li substitution

Sodium ion batteries, because of their sustainability attributes, could be an attractive alternative to Li-ion technology for specific applications. However, it remains challenging to design high energy density and moisture stable Na-based positive electrodes. Here, we report an O3-type NaLi 1/3 Mn 2/3 O 2 phase showing anionic redox activity, obtained through a ceramic process by carefully adjusting synthesis conditions and stoichiometry. This phase shows a sustained reversible capacity of 190 mAh g -1 that is rooted in cumulative oxygen and manganese redox processes as deduced by combined spectroscopy techniques. Unlike many other anionic redox layered oxides so far reported, O3-NaLi 1/3 Mn 2/3 O 2 electrodes do not show discernible voltage fade on cycling. This finding, rationalized by density functional theory, sheds light on the role of inter- versus intralayer 3d cationic migration in ruling voltage fade in anionic redox electrodes. Another practical asset of this material stems from its moisture stability, hence facilitating its handling and electrode processing. Altogether, this work offers future directions towards designing highly performing sodium electrodes for advanced Na-ion batteries.

25 ENERGY STORAGE↗

Trends in Oxygen Electrocatalysis of 3 d ‐Layered (Oxy)(Hydro)Oxides

Abstract First‐row layered transition metal (oxy)(hydro)oxides (LTMOs) form an important class of earth‐abundant materials. They are well‐known as active alkaline oxygen evolution reaction (OER) catalysts, [1,5] and are also often used as metal‐ion battery anodes [6] or as metal‐air bifunctional electrodes. [7] However, their electrochemical activities, particularly for the oxygen reduction reaction (ORR), across the whole 3d ‐element series remain largely unexplored. In this work, we perform a systematic screening of these catalysts for both OER and ORR using a surface edge‐site model with exposed active sites for metal double hydroxides M(OH) 2 , oxyhydroxides MOOH and oxides MO 2 . We establish OER and ORR activities and scaling relations of the whole series across +2, +3 and +4 oxidation states, and successfully reproduce the experimental activities of a few pure layered (oxy)(hydro)oxides. We predict CoOOH/CoO 2 and NiOOH/NiO 2 as active and stable OER catalysts. We also predict Fe(OH) 2 /FeOOH, Mn(OH) 2 /MnOOH and Co(OH) 2 as active and stable ORR catalysts. This makes Co‐(oxy)(hydro)oxides only bifunctional catalyst in this series. Using linear regression, our results indicate that trends across the 3d ‐series can be obtained from only a few bulk, surface and atomic type descriptors. Particularly, we identify that the number of outer d ‐electrons at the surface‐active site as the most important descriptor of activity.

Zhao, Zhenghang↗

TMAP modeling of D release from baked multi-layer Be–D co-deposits

Single-layer Beryllium–Deuterium (Be–D) co-deposits were analyzed using Thermal Desorption mass Spectrometry (TDS) as outlined in the companion paper. This work details the TMAP modeling and the analysis of selected samples that received double-layer (DL) coatings to study co-deposit thickness and prior bake effects. Here, TDS data were simulated with detrap energies 0.8, 0.9, and 1.0 eV. In DLs formed at 393 K, modeling revealed that under-layers baked at 623 K for either 2 or 20 h had little pumping effect on over-layers, suggesting empty trap removal during bake. Extrapolated to ITER, data and analysis suggest less impact on the ongoing ITER bake efficiency than previously predicted.

36 MATERIALS SCIENCE↗

The effect of the MgO buffer layer thickness on magnetic anisotropy in MgO/Fe/Cr/MgO buffer/MgO(001)

The relationship between the magnetic properties and MgO buffer layer thickness d was studied in epitaxial MgO/Fe(t)/Cr/MgO(d) layers grown on MgO(001) substrate in which the Fe thickness t ranged from 0.4 nm to 1.1 nm. For 0.4 nm ≤ t ≤ 0.7 nm, a non-monotonic coercivity dependence on the MgO buffer thickness was shown by perpendicular magneto-optic Kerr effect magnetometry. For thicker Fe films, an increase in the buffer layer thickness resulted in a spin reorientation transition from perpendicular to the in-plane magnetization direction. Possible origins of these unusual behaviors were discussed in terms of the suppression of carbon contamination at the Fe surface and changes in the magnetoelastic anisotropy in the system. These results illustrate a method to control magnetic anisotropy in MgO/Fe/Cr/MgO(d) via an appropriate choice of MgO buffer layer thickness d.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Disordered 3 D Multi‐layer Graphene Anode Material from CO 2 for Sodium‐Ion Batteries

Abstract We report the application of disordered 3 D multi‐layer graphene, synthesized directly from CO 2 gas through a reaction with Li at 550 °C, as an anode for Na‐ion batteries (SIBs) toward a sustainable and greener future. The material exhibited a reversible capacity of ∼190 mA h g −1 with a Coulombic efficiency of 98.5 % at a current density of 15 mA g −1 . The discharge capacity at higher potentials (>0.2 V vs. Na/Na + ) is ascribed to Na‐ion adsorption at defect sites, whereas the capacity at low potentials (<0.2 V) is ascribed to intercalation between graphene sheets through electrochemical characterization, Raman spectroscopy, and small‐angle X‐ray scattering experiments. The disordered multi‐layer graphene electrode demonstrated a great rate capability and cyclability. This novel approach to synthesize disordered 3 D multi‐layer graphene from CO 2 gas makes it attractive not only as an anode material for SIBs but also to mitigate CO 2 emission.

Smith, Kassiopeia↗

Intrinsically Conductive {pi}‑d Conjugated Layers with Co–N4 Active Sites for Efficient Nitrate Electrocatalysis and Zinc-Nitrate Batteries

Electrochemical synthesis of ammonia from nitrate has been extensively investigated as a potential alternative to the energy-intensive Haber-Bosch process. This approach not only operates under ambient conditions but also simultaneously removes nitrate contaminants while producing ammonia as a value-added product. However, the ongoing quest lies in designing an efficient electrocatalyst that achieves a high ammonia yield rate, high selectivity, and long-term stability. Herein, we report the outstanding performance of a Co–N4 coordinated π-d layered Co3(HITP)2 (HITP = 2,3,6,7,10,11-hexaiminotriphenylene) in nitrate electrocatalysis. The unique combination of abundant Co–N4 active sites and superior electrical conductivity enables significant electrocatalytic activity, delivering a maximum ammonia yield rate of 56.8 mg cm–2 h–1 at −0.8 V vs RHE and a Faradaic efficiency of ∼91% at −0.4 V vs RHE. Mechanistic analysis reveals that alkaline conditions accelerate water dissociation to generate adsorbed hydrogen intermediates (H*), which are utilized by Co–N4 sites to drive the stepwise hydrogenation of nitrate to ammonia while suppressing competing hydrogen evolution reaction (HER) pathways. Furthermore, integration of this catalyst into a zinc-nitrate battery resulted in a maximum power density of 5.3 mW cm–2 and an open-circuit potential of ∼1.45 V. These results highlight the potential of π-d conjugated Co–N4 materials as an efficient catalyst for both environmental remediation and energy conversion.

Namvar, shahrirar↗

Generation and Radiation of Acoustic Waves from a 2-D Shear Layer using the CE/SE Method

In the present work, the generation and radiation of acoustic waves from a 2-D shear layer problem is considered. An acoustic source inside of a 2-D jet excites an instability wave in the shear layer, resulting in sound Mach radiation. The numerical solution is obtained by solving the Euler equations using the space time conservation element and solution element (CE/SE) method. Linearization is achieved through choosing a small acoustic source amplitude. The Euler equations are nondimensionalized as instructed in the problem statement. All other conditions are the same except that the Crocco's relation has a slightly different form. In the following, after a brief sketch of the CE/SE method, the numerical results for this problem are presented.

Loh, Ching Y.↗

Aeronomic theory

Thermal and ionization economy of ionosphere, ion distribution in F layer, refinement of D layer theory, and other aeronomy studies

D LAYER↗

Technique for Forming Solid D2 and D-T Layers for Shock Timing Experiments at the National Ignition Facility

Capsule implosion experiments on the National Ignition Facility (NIF) are driven with a carefully tailored laser pulse that delivers a sequence of shocks to the ablator and fuel. In order to ensure the shocks converge at the desired position, the shock strength and velocity are measured in experimental platforms referred to as keyhole targets. We made shock measurements on capsules completely filled with liquid deuterium for the solid deuterium tritide (D-T) layer campaigns. Modeling has been used to extend these results to form an estimate of the shock properties in solid D-T layers. Furthermore, to verify and improve the surrogacy of the liquid-filled keyhole measurements, we have developed a technique to form a solid layer inside the keyhole capsule. The layer is typically uniform over a 400-μm-diameter area. This is sufficient to allow direct measurement of the shock velocity. This layering technique has been successfully applied to 13 experiments on the NIF. The technique may also be applicable to fast-igniter experiments since some proposed designs resemble keyhole targets. We discuss our method in detail and give representative results.

42 ENGINEERING↗