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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Probing the proton exchange kinetics of BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3− δ ceramic electrolyte by operando diffuse reflectance infrared Fourier transform spectroscopy

Proton exchange kinetics plays an important role in governing the performance of intermediate-temperature protonic ceramic electrolysis cells (PCECs) for hydrogen production. Our understanding of the nature of the surface hydration reaction at the single-cell level, however, remains very limited, hampering further efficiency improvements. Here, in this study, we developed a custom operando diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) platform that operates under high temperature and steam conditions with applied bias. Quantitative investigations of surface H 2 O/D 2 O isotope exchange in a BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3−δ (BZCYYb1711) protonic electrolyte-based single cell were conducted under different applied voltages using this DRIFTS platform, to gain molecular-level insight into hydration kinetics. The findings show that the application of an external voltage significantly enhances the surface proton exchange rate, decreasing the apparent activation energy from 29.1 kJ mol −1 at open-circuit voltage (OCV) to 6.8 kJ mol −1 at 1.3 V. In addition, distinct voltage-induced spectral shifts in O–D vibrations point to dynamic changes in surface hydration. These findings demonstrate a sensitive spectroscopic platform for probing interfacial proton processes and reveal strong electrochemical control over surface proton kinetics, offering new opportunities for probing electrolyte hydration behavior in PCECs.

36 - MATERIALS SCIENCE↗
DOE OSTI2016

Benchmarking of HEU Mental Annuli Critical Assemblies with Internally Reflected Graphite Cylinder

Three experimental configurations of critical assemblies, performed in 1963 at the Oak Ridge Critical Experiment Facility, which are assembled using three different diameter HEU annuli (15-9 inches, 15-7 inches and 13-7 inches) metal annuli with internally reflected graphite cylinder are evaluated and benchmarked. The experimental uncertainties which are 0.00055, 0.00055 and 0.00055 respectively, and biases to the detailed benchmark models which are -0.00179, -0.00189 and -0.00114 respectively, were determined, and the experimental benchmark keff results were obtained for both detailed and simplified model. The calculation results for both detailed and simplified models using MCNP6-1.0 and ENDF VII.1 agree well to the benchmark experimental results with a difference of less than 0.2%. These are acceptable benchmark experiments for inclusion in the ICSBEP Handbook.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

In-situ stoichiometry determination using x-ray fluorescence generated by reflection-high-energy-electron-diffraction

A major challenge in the stoichiometric growth of complex oxide compounds is the control of the relative compositions of the constituent materials. A potential avenue for compositional analysis during growth is the use of x-ray fluorescence generated during reflection high energy electron diffraction measurements. Using this technique, relative compositions of Y and Mn in molecular beam epitaxy grown YMnO{sub 3} samples were studied. Comparing the results with Rutherford back scattering spectroscopy suggests that the technique has the potential for real-time analysis of elemental fluxes and stoichiometry control during sample growth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

Doping of organic semiconductors induced by lithium fluoride/aluminum electrodes studied by electron spin resonance and infrared reflection-absorption spectroscopy

We report our investigations on the chemical doping mechanisms induced by LiF|Al electrodes evaporated onto fullerene thin films. Electron spin resonance (ESR) and infrared reflection-absorption spectroscopy (IRRAS) are utilized to characterize C 60 |Al and C 60 |LiF|Al interfaces. ESR spectra show that deposition of LiF followed by Al generates C 60 radical anions and also the presence of an additional paramagnetic species of lower concentration that is present in all C 60 films regardless of LiF. IRRAS clarifies the mechanism occurring at the C 60 |LiF|Al interface, showing that interaction between LiF and C 60 followed by deposition of Al causes LiF clusters to chemically dissociate.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Design of the reflective optics for Tore Supra ECEI system

A 2D electron cyclotron emission (ECE) imaging system for Tore Supra is under design for studying the MHD physics of the magnetically confined plasma such as sawteeth, tearing modes, and turbulent fluctuations. Complex beam path due to the tight access in Tore Supra led to the design of reflective optics made of 6 or more large cylindrical/flat mirrors. The total path length of the ECE beam is about 11 m, including almost 4 m inside the vacuum vessel. The imaging property of the optics has been estimated using the Gaussian beam simulation and ray transfer analysis. The possible setups for the optical alignment of the diagnostic and the operation scenarios with single- or dual-array measurement system are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Intricacies and strategies for the implementation of new technologies in radiotherapy: Reflections on the meaning and prevention of the error

When facing the challenge of implementing new technologies in Radiotherapy, a reflection on philosophical and ethical principles is in order for the Medical Physicist to assume a reality of increased risks of harm to the patient. A series of ideas from philosophers and clinical professionals are reviewed to encourage an increased awareness of our ethical responsibility towards patients that entrust us with their hopes for alleviating their disease.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

'Water window' sources: Selection based on the interplay of spectral properties and multilayer reflection bandwidth

Development of laser-produced plasma 'water window' sources poses a major challenge in x-ray research and most effort has focused on line sources for use with zone plate optics. Here, a comparison of carbon and nitrogen line emission with that from both 3d - 4f and 4d - 4f unresolved transition arrays shows that, at power densities available from 'table-top' solid-state lasers, 3d - 4f emission from zirconium plasmas is most intense, and calculations show that in an imaging system based on multilayer mirrors, for reflectance bandwidths >1% has superior performance than either line or broader-band sources. For bandwidths <1%, line sources are preferable.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Simulation study of wave phenomena from the sheath region in single frequency capacitively coupled plasma discharges; field reversals and ion reflection

Capacitively coupled radio-frequency (RF) discharges have great significance for industrial applications. Collisionless electron heating in such discharges is important, and sometimes is the dominant mechanism. This heating is usually understood to originate in a stochastic interaction between electrons and the electric fields. However, other mechanisms may also be important. There is evidence of wave emission with a frequency near the electron plasma frequency, i.e., ω{sub pe}, from the sheath region in collisionless capacitive RF discharges. This is the result of a progressive breakdown of quasi-neutrality close to the electron sheath edge. These waves are damped in a few centimeters during their propagation from the sheath towards the bulk plasma. The damping occurs because of the Landau damping or some related mechanism. This research work reports that the emission of waves is associated with a field reversal during the expanding phase of the sheath. Trapping of electrons near to this field reversal region is observed. The amplitude of the wave increases with increasing RF current density amplitude J(tilde sign){sub 0} until some maximum is reached, beyond which the wave diminishes and a new regime appears. In this new regime, the density of the bulk plasma suddenly increases because of ion reflection, which occurs due to the presence of strong field reversal near sheath region. Our calculation shows that these waves are electron plasma waves. These phenomena occur under extreme conditions (i.e., higher J(tilde sign){sub 0} than in typical experiments) for sinusoidal current waveforms, but similar effects may occur with non-sinusoidal pulsed waveforms for conditions of experimental interest, because the rate of change of current is a relevant parameter. The effect of electron elastic collisions on plasma waves is also investigated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

A simple method for the measurement of reflective foil emissivity

Reflective metal foil is widely used to reduce radiative heat transfer within the roof space of buildings. Such foils are typically mass-produced by vapor-deposition of a thin metallic coating onto a variety of substrates, ranging from plastic-coated reinforced paper to 'bubble-wrap'. Although the emissivity of such surfaces is almost negligible in the thermal infrared, typically less than 0.03, an insufficiently thick metal coating, or organic contamination of the surface, can significantly increase this value. To ensure that the quality of the installed insulation is satisfactory, Australian building code AS/NZS 4201.5:1994 requires a practical agreed method for measurement of the emissivity, and the standard ASTM-E408 is implied. Unfortunately this standard is not a 'primary method' and requires the use of specified expensive apparatus and calibrated reference materials. At NMIA we have developed a simple primary technique, based on an apparatus to thermally modulate the sample and record the apparent modulation in infra-red radiance with commercially available radiation thermometers. The method achieves an absolute accuracy in the emissivity of approximately 0.004 (k=2). This paper theoretically analyses the equivalence between the thermal emissivity measured in this manner, the effective thermal emissivity in application, and the apparent emissivity measured in accordance with ASTM-E408.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Adsorption of formic acid on rutile TiO{sub 2} (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

Formic acid (HCOOH) adsorption on rutile TiO{sub 2} (110) has been studied by s- and p-polarized infrared reflection-absorption spectroscopy (IRRAS) and spin-polarized density functional theory together with Hubbard U contributions (DFT+U) calculations. To compare with IRRAS spectra, the results from the DFT+U calculations were used to simulate IR spectra by employing a three-layer model, where the adsorbate layer was modelled using Lorentz oscillators with calculated dielectric constants. To account for the experimental observations, four possible formate adsorption geometries were calculated, describing both the perfect (110) surface, and surfaces with defects; either O vacancies or hydroxyls. The majority species seen in IRRAS was confirmed to be the bridging bidentate formate species with associated symmetric and asymmetric frequencies of the ν(OCO) modes measured to be at 1359 cm{sup −1} and 1534 cm{sup −1}, respectively. The in-plane δ(C–H) wagging mode of this species couples to both the tangential and the normal component of the incident p-polarized light, which results in absorption and emission bands at 1374 cm{sup −1} and 1388 cm{sup −1}. IRRAS spectra measured on surfaces prepared to be either reduced, stoichiometric, or to contain surplus O adatoms, were found to be very similar. By comparisons with computed spectra, it is proposed that in our experiments, formate binds as a minority species to an in-plane Ti{sub 5c} atom and a hydroxyl, rather than to O vacancy sites, the latter to a large extent being healed even at our UHV conditions. Excellent agreement between calculated and experimental IRRAS spectra is obtained. The results emphasize the importance of protonation and reactive surface hydroxyls – even under UHV conditions – as reactive sites in e.g., catalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Multiple-band reflective polarization converter using U-shaped metamaterial

A multiple-band metamaterial reflective polarization converter (RPC) is proposed, which is composed of the dielectric substrate sandwiched with U-shaped metallic patterns and continuous metal film. The proposed U-shaped metamaterial RPC (UMM-RPC) can convert a linearly polarized wave to its cross polarized wave at the three resonant frequencies, which also can convert the linearly polarized wave to circularly polarized wave at other three resonant frequencies. Furthermore, the proposed UMM-RPC can maintain the same conversional direction at the three resonant frequencies when incident on a circularly polarized wave. The simulated and measured results are in agreement in the entire frequency range, and the polarization conversion ratio is over 90% for both linear and circular polarizations. The surface current distributions of the UMM-RPC are discussed to look into the physical mechanism. The proposed UMM-RPC has simple geometry but more operating frequency bands compared to the previous designs and can be used in applications such as antenna radome, remote sensors, and radiometer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Real-time reflectance-difference spectroscopy of GaAs molecular beam epitaxy homoepitaxial growth

We report on real time-resolved Reflectance-difference (RD) spectroscopy of GaAs(001) grown by molecular beam epitaxy, with a time-resolution of 500 ms per spectrum within the 2.3–4.0 eV photon energy range. Through the analysis of transient RD spectra we demonstrated that RD line shapes are comprised of two components with different physical origins and determined their evolution during growth. Such components were ascribed to the subsurface strain induced by surface reconstruction and to surface stoichiometry. Results reported in this paper render RD spectroscopy as a powerful tool for the study of fundamental processes during the epitaxial growth of zincblende semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Spin-phonon interactions of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramics: Low-temperature Raman scattering and infrared reflectance spectra investigations

Optical phonons of multiferroic Bi{sub 4}Ti{sub 3}O{sub 12}-BiFeO{sub 3} ceramic have been investigated by low temperature Raman scattering and infrared reflectance spectra. Anomalies at about 85 K can be observed from the temperature dependence of the Raman and infrared modes, which arise from spin-phonon interaction during antiferromagnetic to paramagnetic phase transition. It was found that the change of exchange interaction in magnetic phase transition can be induced by Fe-O-Fe octahedral tilting driven from the A-site atoms. Moreover, ferroelectricity-related displacement of Bismuth atoms suggests the coupling of magnetic and ferroelectric orders.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A two-in-one superhydrophobic and anti-reflective nanodevice in the grey cicada Cicada orni (Hemiptera)

Two separated levels of functionality are identified in the nanostructure which covers the wings of the grey cicada Cicada orni (Hemiptera). The upper level is responsible for superhydrophobic character of the wing, while the lower level enhances its anti-reflective behavior. Extensive wetting experiments with various chemical species and optical measurements were performed in order to assess the bi-functionality. Scanning electron microscopy imaging was used to identify the nanostructure morphology. Numerical optical simulations and analytical wetting models were used to prove the roles of both levels of the nanostructure. In addition, the complex refractive index of the chitinous material of the wing was determined from measurements.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Adding diffuse reflectance infrared Fourier transform spectroscopy capability to extended x-ray-absorption fine structure in a new cell to study solid catalysts in combination with a modulation approach

We describe a novel cell used to combine in situ transmission X-ray absorption spectroscopy (XAS) with diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in a single experiment. The novelty of the cell design compared to current examples is that both radiations are passed through an X-ray and IR transparent window in direct contact with the sample. This innovative geometry also offers a wide surface for IR collection. In order to avoid interference from the crystalline IR transparent materials (e.g., CaF{sub 2}, MgF{sub 2}, diamond) a 500 μm carbon filled hole is laser drilled in the center of a CaF{sub 2} window. The cell is designed to represent a plug flow reactor, has reduced dead volume in order to allow for fast exchange of gases and is therefore suitable for experiments under fast transients, e.g., according to the concentration modulation approach. High quality time-resolved XAS and DRIFTS data of a 2 wt.% Pt/Al{sub 2}O{sub 3} catalyst are obtained in concentration modulation experiments where CO (or H{sub 2}) pulses are alternated to O{sub 2} pulses at 150 °C. We show that additional information can be obtained on the Pt redox dynamic under working conditions thanks to the improved sensitivity given by the modulation approach followed by Phase Sensitive Detection (PSD) analysis. It is anticipated that the design of the novel cell is likely suitable for a number of other in situ spectroscopic and diffraction methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Temperature dependent Raman scattering and far-infrared reflectance spectra of MgO modified Pb{sub 0.99}(Zr{sub 0.95}Ti{sub 0.05}){sub 0.98}Nb{sub 0.02}O{sub 3} ceramics: A composition effect

Lattice dynamics and phase transition of MgO modified Pb{sub 0.99}(Zr{sub 0.95}Ti{sub 0.05}){sub 0.98}Nb{sub 0.02}O{sub 3} (PZTN-x wt. % MgO, x = 0, 0.1, 0.2, 0.5) ceramics have been investigated by far-infrared (FIR) reflectance in the temperature range of 5.5–300 K and Raman spectra between 77 and 300 K, respectively. With the aid of above complementary methods, the structure of all ceramics was defined as low-temperature ferroelectric rhombohedral phase [F{sub R(LT)}] at room temperature. The FIR dielectric functions were extracted from the multi-Lorentz oscillator dispersion model. The lowest frequency phonon mode, which is related to Pb-BO{sub 3} (B = Zr, Ti, Nb) vibration, mainly dominates the FIR dielectric response. With increasing MgO composition, the dielectric constants ε(0) at room temperature are estimated to 85.4, 73.4, 73.9, and 41.9, respectively. The decreasing trend can be due to the doubly ionized oxygen vacancies induced by Mg substitution for B-site. The order-disorder phase transition located around 120 K can be clearly clarified from temperature evolution of phonon frequency, damping, and intensity. It decreases slightly with increasing MgO composition, which influence the distortion due to the broken correlation chains and local permanent dipoles creation. Moreover, the transformation from antiferroelectric orthorhombic A{sub O} to [ F{sub R(LT)} ] phase has been observed around 250 K, which is associated with the antiferroelectric displacement of Pb atoms along 〈 110 〉 and coupled rotations of the corner-connected oxygen octahedral. Furthermore, the transition from [ F{sub R(LT)} ] to [ F{sub R(HT)} ] (high-temperature ferroelectric rhombohedral phase) was identified around 290 K for MgO-doped PZTN ceramics. It arises from the shift of cation (Pb and Zr/Ti/Nb/Mg ions) along the 〈 111 〉 direction and the transition temperature slightly decreases compared to the pure ceramic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Development of a broadband reflective T-filter for voltage biasing high-Q superconducting microwave cavities

We present the design of a reflective stop-band filter based on quasi-lumped elements that can be utilized to introduce large dc and low-frequency voltage biases into a low-loss superconducting coplanar waveguide (CPW) cavity. Transmission measurements of the filter are seen to be in good agreement with simulations and demonstrate insertion losses greater than 20 dB in the range of 3–10 GHz. Moreover, transmission measurements of the CPW's fundamental mode demonstrate that loaded quality factors exceeding 10{sup 5} can be achieved with this design for dc voltages as large as 20 V and for the cavity operated in the single-photon regime. This makes the design suitable for use in a number of applications including qubit-coupled mechanical systems and circuit QED.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗