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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Giant phonon anomaly associated with superconducting fluctuations in the pseudogap phase of cuprates

The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pair of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. Finally, this proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Surface acetone reactions on ZnxZryOz: A DRIFTS-MS study

We report a systematic DRIFTS-MS study of surface acetone aldolization and self-deoxygenation reactions on ZrO2 and Zn1Zr10Oz, using temperature programmed surface reactions of both acetone reactant and possible intermediate compounds including diacetone alcohol, mesityl oxide, phorone, and isophorone. DRIFTS was used to monitor the evolution of surface species while MS was used to track corresponding gas phase products, in an attempt to identify the distinct reaction pathways observed on the two catalysts as well as the role zinc plays in the corresponding reaction pathways. It is found that aldol condensation (or aldolization) of acetone occurs readily at low temperature (298?K), forming mainly acetone dimers (i.e., diacetone alcohol, DAA/mesityl oxide, MSO) on both ZrO2 and Zn1Zr10Oz with the latter being more active. At elevated temperatures, secondary MSO reactions are diverted, mainly caused by the different Lewis basicity on the two catalysts. Over ZrO2, MSO reacts with activated acetone (acetone enolate) to form a surface 4,4-dimethyl-2,6-heptadione (phorone-C), which is further converted into a stable isophorone intermediate. At temperatures above 473?K, polymerization/oligomerization of isophorone along with basic hydroxyl promoted decomposition reactions occur, leading to the formation of heavier carbonaceous surface species and gas-phase side products (methane and CO2). The addition of zinc balances the surface acid-base properties on ZnxZryOz (i.e., Zn1Zr10Oz) via not only enhancing the surface Lewis basicity but passivating the strong acidity. This balance, especially the enhanced surface Lewis basicity largely promotes the a-H abstraction of MSO to form MSO enolate on the Zn1Zr10Oz, which thus favors the aldolization of MSO enolate and acetone, a reaction tends to form 2,6-dimethyl-2,5-heptadien-4-one (phorone-A). Phorone-A then readily decomposes to produce isobutene as a major product at temperature as low as 373?K. Note that, despite the facile formation of isobutene at low temperatures, a high temperature (673?K) is still necessary to release the strongly adsorbed formate/carbonate/acetate species via CO2 formation.

Li, Houqian↗
DOE OSTI2018

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. In this study, to investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as the water saturation decreases to an intermediate value (about 0.4–0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. Lastly, the relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.

58 GEOSCIENCES↗
DOE OSTI2019

Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis

Scaling relationships in catalysis impose fundamental limitations on the catalyst maximal performance; therefore, there is a continuous hunt for ways of circumventing them. In this study, we show that, at the subnano-scale, scaling relationships can be broken through catalyst dynamics. Oxygen reduction reaction (ORR), which can be catalyzed by Pt nanoparticles, is used as our study case. Subnanometer gas-phase and graphene-deposited Ptn cluster catalysts are shown to exhibit poor correlation between binding energies of the intermediates, O, OH, and OOH, involved in the scaling relationships for ORR. The effect is due to the highly fluxional behavior of subnanometer clusters, which easily adapt their structures to the bound adsorbates and varying coverage and in some cases even reshape the structure upon changing environment. Lastly, this fluxional behavior is also commonplace for clusters and contrasts them to extended surfaces, suggesting that breaking scaling relationships is likely a rule more than an exception in nanocluster catalysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

In Situ Identification of Reaction Intermediates and Mechanistic Understandings of Methane Oxidation over Hematite: A Combined Experimental and Theoretical Study

Effective methane utilization for either clean power generation or value-added chemical production has been a subject of growing attention worldwide for decades, yet challenges persist mostly in relation to methane activation under mild conditions. Here, we report hematite, an earth-abundant material, to be highly effective and thermally stable to catalyze methane combustion at low temperatures (<500 °C) with a low light-off temperature of 230 °C and 100% selectivity to CO 2 . The reported performance is impressive and comparable to those of precious-metal-based catalysts, with a low apparent activation energy of 17.60 kcal·mol –1 . Our theoretical analysis shows that the excellent performance stems from a tetra-iron center with an antiferromagnetically coupled iron dimer on the hematite (110) surface, analogous to that of the methanotroph enzyme methane monooxygenase that activates methane at ambient conditions in nature. Isotopic oxygen tracer experiments support a Mars van Krevelen redox mechanism where CH 4 is activated by reaction with a hematite surface oxygen first, followed by a catalytic cycle through a molecular-dioxygen-assisted pathway. Surface studies with in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory (DFT) calculations reveal the evolution of reaction intermediates from a methoxy CH 3 –O–Fe, to a bridging bidentate formate b-HCOO–Fe, to a monodentate formate m-HCOO–Fe, before CO 2 is eventually formed via a combination of thermal hydrogen-atom transfer (HAT) and proton-coupled electron transfer (PCET) processes. Finally, the elucidation of the reaction mechanism and the intermediate evolutionary profile may allow future development of catalytic syntheses of oxygenated products from CH 4 in gas-phase heterogeneous catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Lithium titanate hydrates with superfast and stable cycling in lithium ion batteries

Lithium titanate and titanium dioxide are two best-known high-performance electrodes that can cycle around 10,000 times in aprotic lithium ion electrolytes. Here we show there exists more lithium titanate hydrates with superfast and stable cycling. That is, water promotes structural diversity and nanostructuring of compounds, but does not necessarily degrade electrochemical cycling stability or performance in aprotic electrolytes. As a lithium ion battery anode, our multi-phase lithium titanate hydrates show a specific capacity of about 130 mA h g –1 at ~35 C (fully charged within ~100 s) and sustain more than 10,000 cycles with capacity fade of only 0.001% per cycle. In situ synchrotron diffraction reveals no 2-phase transformations, but a single solid-solution behavior during battery cycling. Here, so instead of just a nanostructured intermediate to be calcined, lithium titanate hydrates can be the desirable final destination.

25 ENERGY STORAGE↗
DOE OSTI2024

Structural phase transition, s ± -wave pairing, and magnetic stripe order in bilayered superconductor La 3 Ni 2 O 7 under pressure

Motivated by the recently discovered high-T c superconductor La 3 Ni 2 O 7 , we comprehensively study this system using density functional theory and random phase approximation calculations. At low pressures, the Amam phase is stable, containing the Y 2- mode distortion from the Fmmm phase, while the Fmmm phase is unstable. Because of small differences in enthalpy and a considerable Y 2- mode amplitude, the two phases may coexist in the range between 10.6 and 14 GPa, beyond which the Fmmm phase dominates. In addition, the magnetic stripe-type spin order with wavevector (π, 0) was stable at the intermediate region. Pairing is induced in the s ± -wave channel due to partial nesting between the M = (π, π) centered pockets and portions of the Fermi surface centered at the X = (π, 0) and Y = (0, π) points. This resembles results for iron-based superconductors but has a fundamental difference with iron pnictides and selenides. Moreover, our present efforts also suggest La 3 Ni 2 O 7 is qualitatively different from infinite-layer nickelates and cuprate superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Inference on accretion flow dynamics using TCAF solution from the analysis of spectral evolution of H 1743-322 during the 2010 outburst

We study accretion flow dynamics of the Galactic transient black hole candidate (BHC) H 1743-322 during its 2010 outburst by analyzing spectral data using the two-component advective flow (TCAF; Keplerian and sub-Keplerian) solution after its inclusion in XSPEC as a local model. We compare our TCAF solution fitted results with combined disk blackbody (DBB) and power-law (PL) model fitted results and find a similar smooth variation of thermal (Keplerian or DBB) and non-thermal (PL or sub-Keplerian) fluxes/rates in two types of model fits. For a spectral analysis, 2.5-25 keV spectral data from the Rossi X-Ray Timing Explorer Proportional Counter Array instrument are used. From the TCAF solution fit, accretion flow parameters, such as Keplerian rate, sub-Keplerian rate, location of centrifugal pressure-supported shock, and strength of the shock, are extracted, providing a deeper understanding of the accretion process and properties of accretion disks around BHC H 1743-322 during its X-ray outburst. Based on the halo to disk accretion rate ratio, shock properties, accretion rates, and the nature of the quasi-periodic oscillations' (if observed) entire outburst is classified into four different spectral states: hard, hard-intermediate, soft-intermediate, and soft. From the time variation of intrinsic flow parameters, it appears that their evolutions in the declining phase do not retrace the path of the rising phase. Since our current model does not include magnetic fields, spectral turnover at energies beyond 500-600 keV cannot be explained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Recently Quenched Galaxies at z = 0.2–4.8 in the COSMOS UltraVISTA Field

We present a new analysis of the stellar mass function and morphology of recently quenched galaxies (RQGs), whose star formation has been recently quenched for some reason. The COSMOS2015 catalog was exploited to select those galaxies at 0.2 < z < 4.8, over 1.5 deg{sup 2} of the Cosmic Evolution Survey (COSMOS) UltraVISTA field. This is the first time that RQGs are consistently selected and studied in such a wide range of redshift. We find increasing number density of RQGs with time in a broad mass range at z > 1, while low-mass RQGs start to grow very rapidly at z < 1. We also demonstrate that the migration of RQGs may largely drive the evolution of the stellar mass function of passive galaxies. Moreover, we find that the morphological type distribution of RQGs are intermediate between those of star-forming and passive galaxies. These results indicate that RQGs represent a major transitional phase of galaxy evolution, in which star-forming galaxies turn into passive galaxies, accompanied by the build up of spheroidal component.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1972

Signal to noise measurement circuit

Phase lock reference provides a rapid and accurate method of determining the signal-to-noise ratio at the intermediate frequency stage of a receiver.

Deerkoski, L. F.↗
NASA NTRS1973

Removal of a constraint on the composition of the lunar interior.

Ringwood and Essene (1970) proposed that the CaO and Al2O3 contents of the deep interior of the moon must be less than 6% each. This constraint has been generally accepted and has led to models of the lunar interior that are dominated by ferromagnesium silicates. This constraint is invalid. High CaO and Al2O3 peridotites have broader intermediate-density (3.3-3.4 g/cu cm) fields than the Ringwood-Essene 'lunar pyroxenite,' and the high-density phase occurs at higher pressure. Likewise, the gabbro-eclogite transformation pressure increases with Al2O3 content. The moon can have a thick plagioclase rich outer shell and a high Ca-Al interior.

Anderson, D. L.↗
NASA NTRS1997

Data management at Biosphere 2 center

Throughout the history of Biosphere 2, the collecting and recording of biological data has been sporadic. Currently no active effort to administer and record regular biological surveys is being made. Also, there is no central location, such as an on-site data library, where all records from various studies have been archived. As a research institute, good, complete data records are at the core of all Biosphere 2's scientific endeavors. It is therefore imperative that an effective data management system be implemented within the management and research departments as soon as possible. Establishing this system would require three general phases: (1) Design/implement a new archiving/management program (including storage, cataloging and retrieval systems); (2) Organize and input baseline and intermediate data from existing archives; and (3) Maintain records by inputting new data.

McCreary, Leone F.↗
NASA NTRS2006

Observations of Intermediate-Scale Diurnal Waves in the Equatorial Mesosphere and Lower Thermosphere

The purpose of this study is to seek observational evidence for diurnal, vertically propagating inertia-gravity waves (IGWs) in the mesosphere and lower thermosphere (MLT). Numerical modeling studies indicate that vertically propagating IGWs excited by tropical heating provide a significant source of momentum for the semiannual oscillation (SAO) in the equatorial zonal mean winds. The power spectrum of these waves has a strong diurnal component. We analyze global patterns of ascending and descending node differences in MLT satellite temperatures, which are assumed in this study to be proxies for waves of diurnal period. Juxtaposed upon the planetary-scale features are localized variations with longitudinal wavelengths ranging from 25 deg to 50 deg, and with vertical wavelengths between 13 and 25 km. These intermediate-scale variations are spatially coherent, and persist for several weeks. Their amplitudes generally increase with altitude, while their phase structures suggest both eastward and westward propagation. The variance of wave numbers 9-17 in the MLT is examined in relation to the underlying stratospheric zonal mean zonal gradient winds. Stronger variances generally coincide with periods where the underlying zonal mean winds are relatively light, or unidirectional. The weak inverse association between variance strength and zonal wind magnitude is suggestive of a wave filtering mechanism.

Lieberman, R. S.↗
NASA NTRS2012

Goldstone Solar System Radar Waveform Generator

Due to distances and relative motions among the transmitter, target object, and receiver, the time-base between any transmitted and received signal will undergo distortion. Pre-distortion of the transmitted signal to compensate for this time-base distortion allows reception of an undistorted signal. In most radar applications, an arbitrary waveform generator (AWG) would be used to store the pre-calculated waveform and then play back this waveform during transmission. The Goldstone Solar System Radar (GSSR), however, has transmission durations that exceed the available memory storage of such a device. A waveform generator capable of real-time pre-distortion of a radar waveform to a given time-base distortion function is needed. To pre-distort the transmitted signal, both the baseband radar waveform and the RF carrier must be modified. In the GSSR, this occurs at the up-conversion mixing stage to an intermediate frequency (IF). A programmable oscillator (PO) is used to generate the IF along with a time-varying phase component that matches the time-base distortion of the RF carrier. This serves as the IF input to the waveform generator where it is mixed with a baseband radar waveform whose time-base has been distorted to match the given time-base distortion function producing the modulated IF output. An error control feedback loop is used to precisely control the time-base distortion of the baseband waveform, allowing its real-time generation. The waveform generator produces IF modulated radar waveforms whose time-base has been pre-distorted to match a given arbitrary function. The following waveforms are supported: continuous wave (CW), frequency hopped (FH), binary phase code (BPC), and linear frequency modulation (LFM). The waveform generator takes as input an IF with a time varying phase component that matches the time-base distortion of the carrier. The waveform generator supports interconnection with deep-space network (DSN) timing and frequency standards, and is controlled through a 1 Gb/s Ethernet UDP/IP interface. This real-time generation of a timebase distorted radar waveform for continuous transmission in a planetary radar is a unique capability.

Quirk, Kevin J.↗
NASA NTRS2015

An Assessment of Southern Ocean Water Masses and Sea Ice During 1988-2007 in a Suite of Interannual CORE-II Simulations

We characterise the representation of the Southern Ocean water mass structure and sea ice within a suite of 15 global ocean-ice models run with the Coordinated Ocean-ice Reference Experiment Phase II (CORE-II) protocol. The main focus is the representation of the present (1988-2007) mode and intermediate waters, thus framing an analysis of winter and summer mixed layer depths; temperature, salinity, and potential vorticity structure; and temporal variability of sea ice distributions. We also consider the interannual variability over the same 20 year period. Comparisons are made between models as well as to observation-based analyses where available. The CORE-II models exhibit several biases relative to Southern Ocean observations, including an underestimation of the model mean mixed layer depths of mode and intermediate water masses in March (associated with greater ocean surface heat gain), and an overestimation in September (associated with greater high latitude ocean heat loss and a more northward winter sea-ice extent). In addition, the models have cold and fresh/warm and salty water column biases centred near 50 deg S. Over the 1988-2007 period, the CORE-II models consistently simulate spatially variable trends in sea-ice concentration, surface freshwater fluxes, mixed layer depths, and 200-700 m ocean heat content. In particular, sea-ice coverage around most of the Antarctic continental shelf is reduced, leading to a cooling and freshening of the near surface waters. The shoaling of the mixed layer is associated with increased surface buoyancy gain, except in the Pacific where sea ice is also influential. The models are in disagreement, despite the common CORE-II atmospheric state, in their spatial pattern of the 20-year trends in the mixed layer depth and sea-ice.

Sea ice↗
DOE OSTI2021

Significant phase-space-driven thermal transport suppression in BC8 silicon

The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. Further, they significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Band Gap Engineering and Metastable Phase Discovery in Cu 2 BaSnS 4– x Se x Nanocrystals via Topotactic Anion Exchange

Earth-abundant multinary inorganic chalcogenides, such as Cu 2 BaSnS 4–x Se x (CBTSSe), have emerged as promising absorbers for next-generation solar cells. However, accessing colloidal CBTSSe nanocrystals, including metastable polymorphs with more favorable optoelectronic properties, remains a critical synthetic challenge. Herein, we report the first use of topotactic anion exchange to access metastable crystal structures in soft chemistry syntheses. By varying the stoichiometry of selenium precursors, we directly synthesize Cu 2 BaSnS 4–x Se x (0 ≤ x ≤ 4) nanocrystals with a broad band gap tunability of 1.51–2.04 eV. At x = 4, a new metastable trigonal phase of Cu 2 BaSnSe 4 is isolated. This phase arises via an in-situ topotactic anion exchange from sulfur-rich Cu 2 BaSnS 4–x Se x intermediates, while retaining both the cation sublattice and overall nanocrystal morphology. The trigonal Cu 2 BaSnSe 4 exhibits a nearly direct band gap that is 280 meV lower than its thermodynamically stable orthorhombic counterpart, aligning more closely with the optimal band gap for single-junction solar cells. In contrast, a post-synthetic anion exchange route leads to the thermodynamically preferred orthorhombic polymorph, pointing to the critical nature of the in-situ transformation. Our findings open a versatile pathway for both polymorphic and morphological control in colloidal nanocrystals, expanding the synthetic design space for new optoelectronic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Techniques for measurement of thoracoabdominal asynchrony

Respiratory motion measured by respiratory inductance plethysmography often deviates from the sinusoidal pattern assumed in the traditional Lissajous figure (loop) analysis used to determine thoraco-abdominal asynchrony, or phase angle phi. We investigated six different time-domain methods of measuring phi, using simulated data with sinusoidal and triangular waveforms, phase shifts of 0-135 degrees, and 10% noise. The techniques were then used on data from 11 lightly anesthetized rhesus monkeys (Macaca mulatta; 7.6 +/- 0.8 kg; 5.7 +/- 0.5 years old), instrumented with a respiratory inductive plethysmograph, and subjected to increasing levels of inspiratory resistive loading ranging from 5-1,000 cmH(2)O. L(-1). sec(-1).The best results were obtained from cross-correlation and maximum linear correlation, with errors less than approximately 5 degrees from the actual phase angle in the simulated data. The worst performance was produced by the loop analysis, which in some cases was in error by more than 30 degrees. Compared to correlation, other analysis techniques performed at an intermediate level. Maximum linear correlation and cross-correlation produced similar results on the data collected from monkeys (SD of the difference, 4.1 degrees ) but all other techniques had a high SD of the difference compared to the correlation techniques.We conclude that phase angles are best measured using cross-correlation or maximum linear correlation, techniques that are independent of waveform shape, and robust in the presence of noise. Copyright 2002 Wiley-Liss, Inc.

Non-NASA Center↗