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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Quantum-mechanical simulation of the IR reflectance spectrum of Mn{sub 3}Al{sub 2}Si{sub 3}O{sub 12} spessartine

The reflectance spectrum of one member of the garnet family, Mn{sub 3}Al{sub 2}Si{sub 3}O{sub 12} spessartine, was computed at the ab initio level with an all electron Gaussian type basis set and the B3LYP Hamiltonian. The static high frequency dielectric constant was obtained by applying the Coupled Perturbed Kohn Sham scheme as implemented in the CRYSTAL code; the Hessian matrix was evaluated numerically starting from the analytical gradients of the total energy with respect to the Cartesian coordinates of the atoms; the oscillator strengths were computed from well localized Wannier functions. An excellent agreement was obtained with the corresponding experimental spectrum, the exception being the very low frequency region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Highly directive Fabry-Perot leaky-wave nanoantennas based on optical partially reflective surfaces

Nanoantennas enhance the conversion between highly localized electromagnetic fields and far-field radiation. Here, we investigate the response of a nano-patch partially reflective surface backed with a silver mirror to an optical source embedded at the centre of the structure. Using full wave simulations, we demonstrate a two orders of magnitude increased directivity compared to the isotropic radiator, 50% power confinement to a 13.8° width beam and a ±16 nm bandwidth. Our antenna does not rely on plasmonic phenomena thus reducing non-radiative losses and conserving source coherence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Transient reflectance of photoexcited Cd{sub 3}As{sub 2}

We report ultrafast transient-grating measurements of crystals of the three-dimensional Dirac semimetal cadmium arsenide, Cd{sub 3}As{sub 2}, at both room temperature and 80 K. After photoexcitation with 1.5-eV photons, charge-carriers relax by two processes, one of duration 500 fs and the other of duration 3.1 ps. By measuring the complex phase of the change in reflectance, we determine that the faster signal corresponds to a decrease in absorption, and the slower signal to a decrease in the light's phase velocity, at the probe energy. We attribute these signals to electrons' filling of phase space, first near the photon energy and later at lower energy. We attribute their decay to cooling by rapid emission of optical phonons, then slower emission of acoustic phonons. We also present evidence that both the electrons and the lattice are strongly heated.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effects of trapped electrons on ion reflection in an oblique shock wave

A magnetosonic shock wave propagating obliquely to an external magnetic field can trap electrons and accelerate them to ultrarelativistic energies. The trapped electrons excite two-dimensional (2D) electromagnetic fluctuations with finite wavenumbers along the shock front. We study effects of the trapped electrons on ion motions through the 2D fluctuations. It is analytically shown that the fraction of ions reflected from the shock front is enhanced by the 2D fluctuations. This is confirmed by 2D (two space coordinates and three velocities) relativistic, electromagnetic particle simulations with full ion and electron dynamics and calculation of test ions in the electromagnetic fields averaged along the shock front. A comparison between 2D and one-dimensional electromagnetic particle simulations is also shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

A novel vacuum spectrometer for total reflection x-ray fluorescence analysis with two exchangeable low power x-ray sources for the analysis of low, medium, and high Z elements in sequence

The extension of the detectable elemental range with Total Reflection X-ray Fluorescence (TXRF) analysis is a challenging task. In this paper, it is demonstrated how a TXRF spectrometer is modified to analyze elements from carbon to uranium. Based on the existing design of a vacuum TXRF spectrometer with a 12 specimen sample changer, the following components were renewed: the silicon drift detector with 20 mm{sup 2} active area and having a special ultra-thin polymer window allowing the detection of elements from carbon upwards. Two exchangeable X-ray sources guarantee the efficient excitation of both low and high Z elements. These X-ray sources were two light-weighted easily mountable 35 W air-cooled low-power tubes with Cr and Rh anodes, respectively. The air cooled tubes and the Peltier-cooled detector allowed to construct a transportable tabletop spectrometer with compact dimensions, as neither liquid nitrogen cooling for the detector nor a water cooling circuit and a bulky high voltage generator for the X-ray tubes are required. Due to the excellent background conditions as a result of the TXRF geometry, detection limits of 150 ng for C, 12 ng for F, and 3.3 ng for Na have been obtained using Cr excitation in vacuum. For Rh excitation, the detection limits of 90 pg could be achieved for Sr. Taking 10 to 20 μl of sample volume, extrapolated detection limits in the ng/g (ppb) range are resulting in terms of concentration.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Determining the band gap and mean kinetic energy of atoms from reflection electron energy loss spectra

Reflection electron energy loss spectra from some insulating materials (CaCO{sub 3}, Li{sub 2}CO{sub 3}, and SiO{sub 2}) taken at relatively high incoming electron energies (5–40 keV) are analyzed. Here, one is bulk sensitive and a well-defined onset of inelastic excitations is observed from which one can infer the value of the band gap. An estimate of the band gap was obtained by fitting the spectra with a procedure that includes the recoil shift and recoil broadening affecting these measurements. The width of the elastic peak is directly connected to the mean kinetic energy of the atom in the material (Doppler broadening). The experimentally obtained mean kinetic energies of the O, C, Li, Ca, and Si atoms are compared with the calculated ones, and good agreement is found, especially if the effect of multiple scattering is taken into account. It is demonstrated experimentally that the onset of the inelastic excitation is also affected by Doppler broadening. Aided by this understanding, we can obtain a good fit of the elastic peak and the onset of inelastic excitations. For SiO{sub 2}, good agreement is obtained with the well-established value of the band gap (8.9 eV) only if it is assumed that the intensity near the edge scales as (E − E{sub gap}){sup 1.5}. For CaCO{sub 3}, the band gap obtained here (7 eV) is about 1 eV larger than the previous experimental value, whereas the value for Li{sub 2}CO{sub 3} (7.5 eV) is the first experimental estimate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Optical functions of silicon from reflectance and ellipsometry on silicon-on-insulator and homoepitaxial samples

The optical properties of silicon have been determined from 0.2 to 6.5 eV at room temperature, using reflectance spectra of silicon-on-insulator (SOI) and ellipsometric spectra of homoepitaxial samples. Optimized Fabry-Perot-type SOI resonators exhibit high finesse even in near ultraviolet. Very high precision values of the real part of the refractive index are obtained in infrared up to a photon energy of 1.3 eV. The spectra of the extinction coefficient, based on observations of light attenuation, extend to 3.2 eV due to measurements on SOI layers as thin as 87 nm. These results allowed us to correct spectroellipsometric data on homoepitaxial samples for the presence of reduced and stabilized surface layers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Zero bias anomaly in Andreev reflection spectroscopy

Zero bias anomalies have been observed in point contact Andreev reflection spectroscopy using conventional superconductors, and they cannot be suppressed by a highly spin-polarized current. By systematically varying the size of the point contact, the anomalies are found to be evolved from conductance dips outside the superconducting gap. Furthermore, these anomalies, which depend on the size of the interface, are not intrinsic to the superconductors but due to a large resistance change when the contact region is driven to normal by an Oersted field.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Quantitative analysis of total reflection X-ray fluorescence from finely layered structures using XeRay

Total reflection x-ray fluorescence (TXRF) is a widely applicable experimental technique for studying chemical element distributions across finely layered structures at extremely high sensitivity. To promote and facilitate scientific discovery using TXRF, we developed a MATLAB-based software package with a graphical user interface, named XeRay, for quick, accurate, and intuitive data analysis. XeRay lets the user model any layered system, each layer with its independent chemical composition and thickness, and enables fine-tuned data fitting. The accuracy of XeRay has been tested in the analysis of TXRF data from both air/liquid interface and liquid/liquid interfacial studies and has been compared to literature results. In an air/liquid interface study, Ca 2+ sequestration was measured at a Langmuir monolayer of 1-stearoyl-2-oleoyl-sn-glycero-3-phosphatidic acid (SOPA) on a buffer solution of 1 mM CaCl2 at pH 7.5. Data analysis with XeRay reveals that each 1 nm2 of interfacial area contains 2.38 ± 0.06 Ca 2+ ions, which corresponds to a 1:1 ratio between SOPA headgroups and Ca 2+ ions, consistent with several earlier reports. For the liquid/liquid interface study of Sr 2+ enrichment at the dodecane/surfactant/water interface, analysis using XeRay gives a surface enrichment of Sr 2+ at $68^{+6}_{-5}$ Å 2 per ion, consistent with the result published for the same dataset.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Role of threading dislocations in strain relaxation during GaInN growth monitored by real-time X-ray reflectivity

Ga 1–x In x N epilayers (x =0.09 or 0.14) grown on c-plane GaN layers with different densities of threading dislocations have been investigated by real-time x-ray reflectivity during metal-organic vapor phase epitaxial growth. We found that the density of pre-existing threading dislocations in GaN plays an important role in the strain relaxation of Ga 1–x In x N. Critical thicknesses were obtained and compared with theoretical predictions using the mechanical equilibrium model and the energy balance model. We report the critical thickness of GaInN varies inversely with dislocation density in the GaN sublayer. When the threading dislocation density in the sublayer was reduced by three orders of magnitude, the photoluminescence intensity of the Ga 0.86 In 0.14 N epilayer was improved by a factor of ten.

42 ENGINEERING↗
DOE OSTI2017

Stand-alone polarization-modulation infrared reflection absorption spectroscopy instrument optimized for the study of catalytic processes at elevated pressures

This article describes the design and construction of a compact, “user-friendly” polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS) instrument at the Center for Functional Nanomaterials (CFN) of Brookhaven National Laboratory, which allows studying surfaces at pressures ranging from ultra-high vacuum to 100 Torr. Surface infrared spectroscopy is ideally suited for studying these processes as the vibrational frequencies of the IR chromophores are sensitive to the nature of the bonding environment on the surface. Relying on the surface selection rules, by modulating the polarization of incident light, it is possible to separate the contributions from the isotropic gas or solution phase, from the surface bound species. A spectral frequency range between 1000 cm -1 and 4000 cm -1 can be acquired. While typical spectra with a good signal to noise ratio can be obtained at elevated pressures of gases in ~2 min at 4 cm -1 resolution, we have also acquired higher resolution spectra at 0.25 cm -1 with longer acquisition times. By way of verification, CO uptake on a heavily oxidized Ru(0001) sample was studied. As part of this test study, the presence of CO adsorbed on Ru bridge sites was confirmed, in agreement with previous ambient pressure X ray photoelectron spectroscopy studies. In terms of instrument performance, it was also determined that the gas phase contribution from CO could be completely removed even up to pressures close to 100 Torr. A second test study demonstrated the use of the technique for studying morphological properties of a spin coated polymer on a conductive surface. Note that this is a novel application of this technique. In this experiment, the polarization of incident light was modulated manually (vs. through a photoelastic modulator). It was demonstrated, in good agreement with the literature, that the polymer chains preferentially lie parallel with the surface. This PM-IRRAS system is small, modular, and easily reconfigurable. It also features a “vacuum suitcase” that allows for the integration of the PM-IRRAS system with the rest of the suite of instrumentation at our laboratory available to external users through the CFN user proposal system.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Gate-tunable supercurrent and multiple Andreev reflections in a superconductor-topological insulator nanoribbon-superconductor hybrid device

We report on the observation of gate-tunable proximity-induced superconductivity and multiple Andreev reflections (MARs) in a bulk-insulating BiSbTeSe 2 topological insulator nanoribbon (TINR) Josephson junction with superconducting Nb contacts. We observe a gate-tunable critical current (I C ) for gate voltages (V g ) above the charge neutrality point (V CNP ), with I C as large as 430 nA. We also observe MAR peaks in the differential conductance (dI/dV) versus DC voltage (V dc ) across the junction corresponding to sub-harmonic peaks (at V dc = V n = 2Δ Nb /en, where ΔNb is the superconducting gap of the Nb contacts and n is the sub-harmonic order). The sub-harmonic order, n, exhibits a V g -dependence and reaches n = 13 for V g = 40 V, indicating the high transparency of the Nb contacts to TINR. Our observations pave the way toward exploring the possibilities of using TINR in topologically protected devices that may host exotic physics such as Majorana fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Electron reflection effects on particle and heat fluxes to positively charged dust subject to strong electron emission

A new model describing dust charging and heating in unmagnetized plasmas in the presence of large electron emission currents is presented. By accounting for the formation of a potential well due to trapped emitted electrons when the dust is positively charged, this model extends the so-called OML + approach, thus far limited to thermionic emission, by including electron-induced emission processes, and in particular low-energy quasi-elastic electron reflection. Revised semi-analytical formulas for the current and heat fluxes associated with emitted electrons are successfully validated against particle-in-cell simulations and predict an overall reduction of dust heating by up to a factor of 2. Finally, when applied to tungsten dust heating in divertor-like plasmas, the new model predicts that the dust lifetime increases by up to 80%, as compared with standard orbital-motion-limited estimates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Reflectance determination of optical spectral emissivity of metal surfaces at ambient conditions

Optical pyrometry requires knowledge of both spectral radiance and spectral emissivity to accurately measure temperature. No reliable compendium of spectral emissivity data currently exists for common metals in the optical and near-infrared spectral regions where pyrometry is typically performed. In this paper, we measure the spectral reflectivity of numerous common metals, with known surface finishes, between 400 and 1100 nm. The measurements are carried out under ambient conditions, near 300 K at an atmospheric pressure of ~0.78 bar. We then calculate the emissivity as a function of the wavelength for each sample. We define and use the illumination and collection geometries most practical for applying these measurements to radiometric thermometry. We also examine the effect of surface finish upon the relative spectral emissivity of a given material and find qualitative guidelines for predicting the increase in emissivity with increasing surface roughness. Finally, these measurements can both improve the accuracy and precision of optical pyrometry and provide the necessary reference value for converting emerging diagnostic measurements of relative spectral emissivity under extreme dynamic conditions into absolute dynamic spectral emissivity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Crystallographic orientation of uniaxial calcite and dolomite determined using reflection generalized ellipsometry

In this study, using the two-modulator generalized ellipsometry microscope (2-MGEM), it is shown that it is possible to determine the direction of the optic axis of crystallites of the high birefringence materials calcite and dolomite. 2-MGEM measurements are performed in reflection at near-normal incidence, so sample preparation requires only an optically polished surface. For uniaxial materials, the 2-MGEM measures the direction of the fast axis and the diattenuation, which can then be related to the tilt angle of the optic axis with respect to the surface normal once the maximum diattenuation is known. The optical resolution of the present instrument is 4-6 μm, and areas as large as 1 cm 2 can be measured without distortion. Additionally, the 2-MGEM measures the depolarization, which is a measure of the quality of the data. Using this information, an optical pole figure can be determined. The 2-MGEM results are compared with electron backscatter diffraction (EBSD) measurements on the same samples. Lastly, additional standard spectroscopic generalized ellipsometry measurements at a large angle of incidence were performed on single crystal calcite and dolomite to determine the spectroscopic ordinary and extraordinary refractive indices from 220 nm to 850 nm from which the maximum diattenuation can be determined.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Analysis and comparison of ion-acoustic wave reflection using laser-induced fluorescence and Langmuir probes

The first laser-induced fluorescence measurements of ion acoustic wave reflection are presented. The experiment is performed in a multi-pole cylindrical chamber using a singly ionized argon (ArII) plasma produced by means of a hot cathode. Ion-acoustic waves are launched from a mesh antenna and reflected/absorbed by a biased, solid boundary (electrode). A comparison between the Langmuir probe and laser-induced fluorescence diagnostics is presented, with complementary Electric-field probe measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Unidirectional distributed acoustic reflection transducers for quantum applications

Recent significant advances in coupling superconducting qubits to acoustic wave resonators have led to demonstrations of quantum control of surface and bulk acoustic resonant modes as well as Wigner tomography of quantum states in these modes. These advances were achieved through the efficient coupling afforded by piezoelectric materials combined with GHz-frequency acoustic Fabry-Perot cavities. Quantum control of itinerant surface acoustic waves appears in reach but is challenging due to the limitations of conventional transducers in the appropriate gigahertz-frequency band. In particular, gigahertz-frequency unidirectional transducers would provide an important addition to the desired quantum toolbox, promising unit efficiency with directional control over the surface acoustic wave emission pattern. Here, we report the design, fabrication, and experimental characterization of unidirectional distributed acoustic reflection transducers demonstrating a high transduction frequency of 4.8GHz with a peak directivity larger than 25dB and a directivity greater than 15dB over a bandwidth of 17MHz. A numerical model reproduces the main features of the transducer response quite well, with ten adjustable parameters (most of which are constrained by geometric and physical considerations). Finally, this represents a significant step toward quantum control of itinerant quantum acoustic waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Influence of the polarization anisotropy on the linewidth enhancement factor and reflection sensitivity of 1.55- μ m InP-based InAs quantum dash lasers

This work investigates the effect of the polarization anisotropy on the linewidth enhancement factor and the reflection sensitivity of InAs/InP quantum dash semiconductor lasers. The results show that the small linewidth enhancement factor and high stability against external optical feedback are obtained for nanostructures oriented perpendicular to the cavity axis as opposed to those oriented parallel to the cavity axis. Effective simulations on the critical feedback level of these two lasers are also in agreement with experimental results. Such anisotropy is attributed to the polarization dependence of the transition matrix element in these quantum nanostructures.

Dong, B. (ORCID:0000000158266723)↗