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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A compact micro-wave synthesizer for transportable cold-atom interferometers

We present the realization of a compact micro-wave frequency synthesizer for an atom interferometer based on stimulated Raman transitions, applied to transportable inertial sensing. Our set-up is intended to address the hyperfine transitions of {sup 87}Rb at 6.8 GHz. The prototype is evaluated both in the time and the frequency domain by comparison with state-of-the-art frequency references developed at Laboratoire national de métrologie et d'essais−Systémes de référence temps espace (LNE-SYRTE). In free-running mode, it features a residual phase noise level of −65 dB rad{sup 2} Hz{sup −1} at 10 Hz offset frequency and a white phase noise level in the order of −120 dB rad{sup 2} Hz{sup −1} for Fourier frequencies above 10 kHz. The phase noise effect on the sensitivity of the atomic interferometer is evaluated for diverse values of cycling time, interrogation time, and Raman pulse duration. To our knowledge, the resulting contribution is well below the sensitivity of any demonstrated cold atom inertial sensors based on stimulated Raman transitions. The drastic improvement in terms of size, simplicity, and power consumption paves the way towards field and mobile operations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2018

A Cloud Algorithm Based on the O2-O2 477 nm Absorption Band Featuring an Advanced Spectral Fitting Method and the Use of Surface Geometry-Dependent Lambertian-Equivalent Reflectivity

We discuss a new cloud algorithm that retrieves an effective cloud pressure, also known as cloud optical centroid pressure (OCP), from oxygen dimer (O2-O2) absorption at 477nm after determining an effective cloud fraction (ECF) at 466nm, a wavelength not significantly affected by trace-gas absorption and rotational Raman scattering. The retrieved cloud products are intended for use as inputs to the operational nitrogen dioxide (NO2) retrieval algorithm for the Ozone Monitoring Instrument (OMI) flying on the Aura satellite. The cloud algorithm uses temperature-dependent O2-O2 cross sections and incorporates flexible spectral fitting techniques that account for specifics of the surface reflectivity. The fitting procedure derives O2-O2 slant column densities (SCDs) from radiances after O3, NO2, and H2O absorption features have been removed based on estimates of the amounts of these species from independent OMI algorithms. The cloud algorithm is based on the frequently used mixed Lambertian-equivalent reflectivity (MLER) concept. A geometry-dependent Lambertian-equivalent reflectivity (GLER), which is a proxy of surface bidirectional reflectance, is used for the ground reflectivity in our implementation of the MLER approach. The OCP is derived from a match of the measured O2-O2 SCD to that calculated with the MLER method. Temperature profiles needed for computation of vertical column densities are taken from the Global Modeling Initiative (GMI) model. We investigate the effect of using GLER instead of climatological LER on the retrieved ECF and OCP. For evaluation purposes, the retrieved ECFs and OCPs are compared with those from the operational OMI cloud product, which is also based on the same O2-O2 absorption band. Impacts of the application of the newly developed cloud algorithm to the OMI NO2 retrieval are discussed.

cloud fraction and pressure↗
DOE OSTI2024

Rovibrationally resolved Rayleigh and Raman scattering cross sections for molecular hydrogen

Accurate Rayleigh and Raman scattering cross sections, tensor components, depolarization ratios, and reversal coefficients for all rovibrational transitions within the X1Σg+ ground electronic state of H2 have been calculated. Raman spectra have been generated using these data. A method for calculating Raman scattering cross sections is formulated that is valid below the ionization threshold and in the region containing resonances, which explicitly accounts for all bound and dissociative vibrational levels of the bound intermediate electronic states and approximately accounts for the ionization continuum. A representative set of cross sections is presented for incident photon energies below 15 eV and compared with existing results in the literature where possible. Convergence of our results with an increasing number of bound intermediate electronic states is demonstrated. The accuracy of the Placzek–Teller approximation is discussed. The effect of accounting for the intermediate ionization continuum is investigated. Local thermal equilibrium cross sections are calculated for Rayleigh and Raman scattering. This work represents the most accurate and complete treatment of Raman scattering for molecular hydrogen to date. A total of 9582 Rayleigh and Raman scattering cross sections have been generated and are openly available on Zenodo under an open-source Creative Commons Attribution license at https://zenodo.org/doi/10.5281/zenodo.13441471.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Combined Raman imaging and {sup 18}O tracer analysis for the study of high temperature oxidation of pre-oxidized Zircaloy-4 in spent fuel pool accident - 6.4 STP-2016-0037

Oxidation at high temperature of Zr-based cladding materials is expected to be the primary cause of the fuel assemblies' degradation in Spent Fuel Storage Pool loss of cooling accidents. Differently from Loss Of Coolant Accident (LOCA) in reactor vessel, presence of air in the atmosphere in case of a spent fuel pool accident is known to be an aggravating factor because of the 'catalytic' role of nitrogen on the oxidation. 'Low temperature' oxidation scales simulating corrosion oxide formed during normal operation have been observed to have a protective effect regarding subsequent high temperature oxidation, in steam as well as in air and air + steam atmospheres. However, in the presence of nitrogen, this protective effect is lost much earlier than in pure steam or pure oxygen. We present results on oxygen transport through such corrosion oxide layers studied using an {sup 18}O tracer technique. Experiments were performed in {sup 18}O{sub 2} alone as well as in mixed {sup 18}O{sub 2} + N{sub 2} atmospheres, at 850 deg. C, a temperature for which nitrogen is known to have a strong effect on the Zr-based alloys oxidation. Post-test investigations of the specimens were performed by means of micro-Raman profiling or imaging, giving simultaneous information on the {sup 18}O distribution and on structural factors such as composition and stresses in the scales. Raman imaging gave clear evidence for different characteristic distributions of {sup 18}O in the scales. Some of them have been correlated with the development of cracks and porosity in the oxide which allows oxygen to locally penetrate in the scales. Although nitrogen appears to have no or limited influence on the oxygen diffusion, it is observed to reach the metal/oxide interface much faster than oxygen. A mechanism explaining the role of nitrogen on the loss of the protective effect and the kinetic acceleration observed by TGA is proposed. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2017

Effect of H{sup +} implantation on the optical properties of semi-insulating GaAs crystals in the IR spectral region

The optical properties of semi-insulating GaAs crystals subjected to multienergy hydrogen-ion implantation and treatment in a high-frequency electromagnetic field are studied in the infrared spectral region. It is established that such combined treatment provides a means for substantially increasing the transmittance of GaAs crystals to values characteristic of crystals of high optical quality. On the basis of analysis of the infrared transmittance and reflectance data, Raman spectroscopy data, and atomic-force microscopy data on the surface morphology of the crystals, a physical model is proposed to interpret the effects experimentally observed in the crystals. The model takes into account the interaction of radiation defects with the initial structural defects in the crystals as well as the effect of compensation of defect centers by hydrogen during high-frequency treatment.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Low temperature carrier transport study of monolayer MoS{sub 2} field effect transistors prepared by chemical vapor deposition under an atmospheric pressure

Large size monolayer Molybdenum disulphide (MoS{sub 2}) was successfully grown by chemical vapor deposition method under an atmospheric pressure. The electrical transport properties of the fabricated back-gate monolayer MoS{sub 2} field effect transistors (FETs) were investigated under low temperatures; a peak field effect mobility of 59 cm{sup 2}V{sup −1}s{sup −1} was achieved. With the assist of Raman measurement under low temperature, this work identified the mobility limiting factor for the monolayer MoS{sub 2} FETs: homopolar phonon scattering under low temperature and electron-polar optical phonon scattering at room temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Self-field effects on instability of wave modes in a two-stream free-electron laser with an axial magnetic field

Free electron lasers (FEL) play major roles in the Raman Regime, due to the charge and current densities of the beam self-field. The method of perturbation has been applied to study the influence of self-electric and self-magnetic fields. A dispersion relation for two-stream free electron lasers with a helical wiggler and an axial magnetic field has been found. This dispersion relation is solved numerically to investigate the influence of self-fields on the FEL coupling and the two-stream instability. It was found that self-fields can produce very large effects on the FEL coupling, but they have almost negligible effects on two-stream instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Spinel high-entropy oxides (FeNiCrMnZnX) 3 O 4 (X = Al, mg) as anode materials for high-performance lithium-ion batteries

To address the high cost, cobalt dependency, and resource constraints typical of conventional high-entropy oxide (HEO) anodes, this study reports the successful synthesis of two Co-free, six-component spinel-type HEOs(FeNiCrMnZnAl) 3 O 4 (HEO-Al) and (FeNiCrMnZnMg) 3 O 4 (HEO-Mg), via a sol-gel method. The distinct effects of Al 3+ and Mg 2+ incorporation on the electrochemical performance and lithium storage kinetics were systematically investigated. XRD, Raman, and TEM characterizations confirm that both materials possess a pure spinel phase, uniform particle size, and homogeneous elemental distribution. Notably, electrochemical evaluations reveal that HEO-Al delivers a superior reversible capacity of 480.7 mAh g −1 after 100 cycles at 0.1 A g −1 , and maintains 354.5 mAh g −1 after 1000 long-term cycles at 1 A g −1 , significantly outperforming HEO-Mg. Kinetic analysis indicates that HEO-Al exhibits lower charge transfer resistance, a higher Li + diffusion coefficient, and a pseudocapacitive contribution of up to 82%. Furthermore, these findings demonstrate that Al substitution effectively optimizes the structural stability and lithium storage kinetics of Co-free HEOs, providing a viable strategy for designing low-cost, highly stable HEO anode systems.

Anode materials↗
DOE OSTI2017

Semiconductor-to-Metal Transition and Quasiparticle Renormalization in Doped Graphene Nanoribbons

A semiconductor-to-metal transition in N = 7 armchair graphene nanoribbons causes drastic changes in its electron and phonon system. In this paper, by using angle-resolved photoemission spectroscopy of lithium-doped graphene nanoribbons, a quasiparticle band gap renormalization from 2.4 to 2.1 eV is observed. Reaching high doping levels (0.05 electrons per atom), it is found that the effective mass of the conduction band carriers increases to a value equal to the free electron mass. This giant increase in the effective mass by doping is a means to enhance the density of states at the Fermi level which can have palpable impact on the transport and optical properties. Electron doping also reduces the Raman intensity by one order of magnitude, and results in relatively small (4 cm -1 ) hardening of the G phonon and softening of the D phonon. This suggests the importance of both lattice expansion and dynamic effects. Finally, the present work highlights that doping of a semiconducting 1D system is strikingly different from its 2D or 3D counterparts and introduces doped graphene nanoribbons as a new tunable quantum material with high potential for basic research and applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effect of B{sub 2}O{sub 3} Addition on Electrical Conductivity and Structural Roles of CaO-SiO{sub 2}-B{sub 2}O{sub 3} Slag

The effect of B{sub 2}O{sub 3} addition on electrical conductivity of CaO-SiO{sub 2}-B{sub 2}O{sub 3} slag was investigated using the four-electrode method. The slag structure was determined from Raman and nuclear magnetic resonance spectra. The experimental results show that the electrical conductivity, as the B{sub 2}O{sub 3} content in the slag increased from 0 to 10 pct, monotonously increases from 0.0769 to 0.2642 Ω{sup −1} cm{sup −1} at temperatures ranging from 1783 to 1873 K (1510 °C to 1600 °C). The effects of temperature on electrical conductivity obeyed the Arrhenius law, and the electrical conductivity increased as the temperature increased. The Raman spectra results indicated that addition of B{sub 2}O{sub 3} led to an increase of Q{sup 3}(Si) at the cost of Q{sup 2}(Si), which will increase the degree of polymerization of the slag. {sup 11}B nuclear magnetic resonance spectra showed that both BO{sub 3} trigonal and BO{sub 4} tetrahedral structures increased with the increasing B{sub 2}O{sub 3} content. There was a competitive effect between the presence of these structures and an enhanced degree of polymerization of slags in the networks, which resulted in the increased electrical conductivity of the slag. A structure–electrical conductivity model for CaO-SiO{sub 2}-B{sub 2}O{sub 3} slag was established.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Graphene oxide-silica nanohybrids as fillers for PA6 based nanocomposites

Graphene oxide (GO) was prepared by oxidation of graphite flakes by a mixture of H{sub 2}SO{sub 4}/H{sub 3}PO{sub 4} and KMnO{sub 4} based on Marcano's method. Two different masterbatches containing GO (33.3%) and polyamide-6 (PA6) (66.7%) were prepared both via solvent casting in formic acid and by melt mixing in a mini-extruder (Haake). The two masterbatches were then used to prepare PA6-based nanocomposites with a content of 2% in GO. For comparison, a nanocomposite by direct mixing of PA6 and GO (2%) and PA6/graphite nanocomposites were prepared, too. The oxidation of graphite into GO was assessed by X-ray diffraction (XRD), Micro-Raman spectroscopy, scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS) analyses. All these techniques demonstrated the effectiveness of the graphite modification, since the results put into evidence that, after the acid treatment, interlayer distance, oxygen content and defects increased. SEM micrographs carried out on the nanocomposites, showed GO layers totally surrounded by polyamide-6, this feature is likely due to the strong interaction between the hydrophilic moieties located both on GO and on PA6. On the contrary, no interactions were observed when graphite was used as filler. Mechanical characterization, carried out by tensile and dynamic-mechanical tests, marked an improvement of the mechanical properties observed. Photoluminescence and EPR measurements were carried out onto nanoparticles and nanocomposites to study the nature of the interactions and to assess the possibility to use this class of materials as semiconductors or optical sensors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Effect of incorporation of ethylene glycol into PEDOT:PSS on electron phonon coupling and conductivity

The effect of incorporation of ethylene glycol (EG) into poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) on electron phonon coupling and conductivity is investigated. It is shown that the carrier density (N{sub C}) increases significantly and the carrier mobility (μ) increases slightly at 300 K. The increased intensity of the Raman spectrum between 1400 and 1450 cm{sup −1}, following EG treatment (that is, the quinoid-dominated structures of the PEDOT chain), leads to an increase in the number of polarons (bipolarons), which leads to an increase in N{sub C}. In addition, μ in PEDOT:PSS samples with or without EG addition exhibits a strong temperature dependence, which demonstrates the dominance of tunneling (hopping) at low (high) temperatures. The high conductivity of PEDOT:PSS samples with the addition of EG is attributed to the combined effect of the modification of the electron-phonon coupling and the increase in N{sub C} (μ)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Spectroscopic characterization of N = 9 armchair graphene nanoribbons

In this study, we investigate the N = 9 atoms wide armchair-type graphene nanoribbons (9-AGNRs) by performing a comprehensive spectroscopic and microscopic characterization of this novel material. In particular, we use X-ray photoelectron, near edge X-ray absorption fine structure, scanning tunneling, polarized Raman and angle-resolved photoemission (ARPES) spectroscopies. The ARPES measurements are aided by calculations of the photoemission matrix elements which yield the position in k space having the strongest photoemission cross section. Comparison with well-studied narrow N = 7 AGNRs shows that the effective electron mass in 9-AGNRs is reduced by two times and the valence band maximum is shifted to lower binding energy by ~0.6 eV. In polarized Raman measurements of the aligned 9-AGNR, we reveal anisotropic signal depending upon the phonon symmetry. To conclude, our results indicate the 9-AGNRs are a novel 1D semiconductor with a high potential in nanoelectronic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

A study of optothermal and AC impedance properties of Cr-doped Mn{sub 3}O{sub 4} sprayed thin films

Highlights: • Outlining adequacy an original combination of several characterization means. • Structural, optical, thermal and electrical properties have been studied. • Opto- thermal analysis shows that band gap can be tuned through Cr doping. • Outlining physical properties for an eventual development of sensing components. - Abstract: Chrome-doped Mn{sub 3}O{sub 4} thin films were grown on the glass substrates by the spray pyrolysis technique at 350 °C. XRD diffraction and Raman spectroscopy analysis revealed that all samples have tetragonal spinel structure with a preferred orientation along the direction (1 0 1). Absorption coefficient has been measured using both transmission and mirage effect. The band gap energy decreases from 2.2 to 1.9 eV with Cr content while Urbach energy value increases from 354 to 473 meV. Also, thermal conductivity was evaluated. Finally, physical properties have been evaluated and discussed in terms of alteration of the band gap edges, electrical patterns and mirage effect.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Co‐Electrolysis of CO 2 and H 2 O to Syngas on Bimetallic Pd x Cu 1‐ x Catalysts for Tandem Thermochemical Conversion to Carbon Nanofibers

Electrification of chemical production using renewable energy and abundant feedstocks offers a promising pathway for decarbonizing the chemical industry. Current efforts on CO 2 valorization largely focus on making chemicals and fuels. Here, to help achieve net-negative emissions through long-term carbon storage, this study aims to develop efficient electrocatalysts for a tandem electrochemical-thermochemical process to convert CO 2 into carbon nanofibers (CNFs). CO 2 and water are first electrochemically reduced in a membrane electrode assembly (MEA) electrolyzer to produce syngas (CO + H 2 ), which is subsequently fed into a thermochemical packed bed reactor to facilitate CNF growth. This work systematically evaluated Pd x Cu 1-x bimetallic electrocatalysts to assess the effect of Pd–Cu alloying on enhancing syngas production while reducing Pd loading. Transmission electron microscopy and Raman spectroscopy confirmed the formation of high-purity, crystalline CNFs, regardless of the syngas composition from the MEA. In situ X-ray absorption spectroscopy and X-ray diffraction measurements revealed that increasing Cu content in the Pd x Cu 1-x alloy progressively inhibited palladium hydride formation, consistent with DFT calculations on the stability of Pd x Cu 1-x under reducing electrochemical potentials.

58 GEOSCIENCES↗
DOE OSTI2015

Remarkably improved field emission of TiO{sub 2} nanotube arrays by annealing atmosphere engineering

Highlights: • TNAs were prepared by anodization and annealed in different atmospheres. • The crystal structure and electronic properties of the prepared TNAs were investigated. • The field emission of TNAs was highly dependent on annealing atmosphere. • A low turn-on of 2.44 V/μm was obtained for TNAs annealed in H{sub 2} atmosphere. - Abstract: Highly ordered TiO{sub 2} nanotube arrays (TNAs) were prepared by anodization, and followed by annealing in the atmospheres of Air, Vacuum, Ar, and H{sub 2}. The effect of annealing atmosphere on the crystal structure, composition, and electronic properties of TNAs were systematically investigated. Raman and EDS results indicated that the TNAs annealed in anaerobic atmospheres contained more oxygen vacancies, which result in the substantially improved electron transport properties and reduced work function. Moreover, it was found that the FE properties of TNAs were highly dependent on the annealing atmosphere. By engineering the annealing atmosphere, the turn-on field as low as 2.44 V/μm can be obtained from TNAs annealed in H{sub 2}, which was much lower than the value of 18.23 V/μm from the TNAs annealed in the commonly used atmosphere of Air. Our work suggests an instructive and attractive way to fabricate high performance TNAs field emitters.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

When do molecular polaritons behave like optical filters?

This review outlines several linear optical effects featured by molecular polaritons arising in the collective strong light–matter coupling regime. Under weak laser irradiation and when the single-molecule light–matter coupling can be neglected (often in the limit when the number of molecules per photon mode is large), we show that the excited-state molecular dynamics under collective strong coupling can be exactly replicated without the cavity using a shaped (or “filtered”) laser, whose field amplitude is enhanced by the cavity quality factor, shining on the bare molecules. As a consequence, the absorption within a cavity can be understood as the overlap between the polariton transmission and the bare molecular absorption, suggesting that polaritons act in part as optical filters. This framework demystifies and provides a straightforward explanation for a large class of experiments and theoretical models in molecular polaritonics, highlighting that the same effects can be achieved without the cavity with shaped laser pulses. With a few modifications, this simple conceptual picture can also be adapted to understand the incoherent nonlinear response of polaritonic systems. This review establishes a clear distinction between polaritonic phenomena that can be fully explained through classical linear optics and those that require a quantum electrodynamics approach. It also highlights the need to differentiate between effects that necessitate polaritons (i.e., hybrid light–matter states) and those that can occur in the weak coupling regime. Here, we further discuss that certain quantum optical effects like fluorescence can be partially described as optical filtering, whereas some others like cavity-induced Raman scattering go beyond this. Further exploration in these areas is needed to uncover novel polaritonic phenomena beyond optical filtering.

Schwennicke, Kai [University of California, San Di↗