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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

High quality flame deposited diamond films for infrared optical windows

The IR absorption in polycrystalline diamond films deposited in oxygen-acetylene flames is characterized using FTIR. The one-phonon absorption coefficient in the region from 7 to 12 microns that is related to extrinsic defects in the diamond films shows a strong dependence on the flame conditions as well as the substrate temperature. A high degree of diamond crystalline perfection, as judged from the undetectable one-phonon absorption, is achieved under the optimized deposition conditions for our flame setup. This is further supported by the sharp Raman peak at 1332/cm as well as the high purity in crystal orientation according to the X-ray diffraction pattern measured for the high quality diamond films.

Tzeng, Y.↗
DOE OSTI2018

Structural, Electronic, Magnetic, and Optical Properties of Half-Heusler Alloys RuMnZ (Z = P, As): a First-Principle Study

Half-Heusler alloys RuMnZ (Z = P, As ) are studied in the framework of Density Functional Theory (DFT). Structural, electronic, magnetic, and optical properties are calculated and analyzed using the WIEN2k simulation code. All the calculations are done using the full potential linearized augmented plane wave (FP-LAPW) method. Equilibrium lattice parameters are found to be in the range 5.5–5.6 Å. Band gaps of the compounds and density of states (DoS) analysis reveal that the minority spin-down states are semi-conducting while the majority spin-up states are conducting confirming the half-metallic nature of the compounds. Hence, at Fermi level, states are 100 % polarized. The value of the total magnetic moment is found to be 2, i.e., M{sub Tot} = 2μ{sub B}. Several optical properties, including dielectric function, reflectivity, refractive index, conductivity, and absorption coefficient are calculated as well. It is revealed from the imaginary part of the dielectric function that the compounds are optically metallic.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1971

Measured emissivities of uranium and tungsten plasmas.

Uranium and tungsten absorption coefficients between 2,500-8500 A were measured as functions of thermodynamic variables. A gas-driven shock tube was used to obtain plasma temperatures, heavy metal partial pressures, and total pressures in the ranges 7,000-12,000 K, 0.02-1.0 atm, and 3.0-48 atm, respectively. Emission and absorption data were recorded both photographically and photoelectrically. The spectral distributions, thermal dependence and line-to-continuum ratios of the uranium and tungsten radiation differ distinctly. The uranium data are compared with theoretical predictions and with results from other experiments.

Miller, M. H.↗
DOE OSTI2015

Molecular Characterization of Brown Carbon (BrC) Chromophores in Secondary Organic Aerosol Generated From Photo-Oxidation of Toluene

Atmospheric Brown carbon (BrC) is a significant contributor to light absorption and climate forcing. However, little is known about a fundamental relationship between the chemical composition of BrC and its optical properties. In this work, light-absorbing secondary organic aerosol (SOA) was generated in the PNNL chamber from toluene photo-oxidation in the presence of NOx (Tol-SOA). Molecular structures of BrC components were examined using nanospray desorption electrospray ionization (nano-DESI) and liquid chromatography (LC) combined with UV/Vis spectroscopy and electrospray ionization (ESI) high-resolution mass spectrometry (HRMS). The chemical composition of BrC chromophores and the light absorption properties of toluene SOA (Tol-SOA) depend strongly on the initial NOx concentration. Specifically, Tol-SOA generated under high-NOx conditions (defined here as initial NOx/toluene of 5/1) appears yellow and mass absorption coefficient of the bulk sample (MACbulk@365nm = 0.78 m2 g-1) is nearly 80 fold higher than that measured for the Tol-SOA sample generated under low-NOx conditions (NOx/toluene < 1/300). Fifteen compounds, most of which are nitrophenols, are identified as major BrC chromophores responsible for the enhanced light absorption of Tol-SOA material produced in the presence of NOx. The integrated absorbance of these fifteen chromophores accounts for 40-60% of the total light absorbance by Tol-SOA at wavelengths between 300 nm and 500 nm. The combination of tandem LC-UV/Vis-ESI/HRMS measurements provides an analytical platform for predictive understanding of light absorption properties by BrC and their relationship to the structure of individual chromophores. General trends in the UV/vis absorption by plausible isomers of the BrC chromophores were evaluated using theoretical chemistry calculations. The molecular-level understanding of BrC chemistry is helpful for better understanding the evolution and behavior of light absorbing aerosols in the atmosphere.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

First-principles study on electronic and optical properties of Cu{sub 2}ZnSiV I{sub 4} (VI=S, Se, and Te) quaternary semiconductors

The electronic and optical properties of Cu{sub 2}ZnSiS{sub 4}, Cu{sub 2}ZnSiSe{sub 4} and Cu{sub 2}ZnSiTe{sub 4} in kesterite and stannite structures are systematically studied using first-principles calculations. Crystal field splitting, optical transitions, p-d bonding, and anti-bonding overlapping are analyzed. The physical and chemical trends in these properties are investigated with respect to the crystal structure and anion atomic number. The optical spectra, such as dielectric function, refractive index, reflectivity and absorption coefficient are explored in a broad range of energy. A good agreement between the calculated results and experimental data is obtained.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nonlinear optical characterization of graphite oxide thin film by open aperture Z-scan technique

In this paper we explore the structural characterization of graphite oxide powder prepared from graphite powder by oxidation via modified Hummers method. The nonlinear optical properties of the spin coated graphite oxide thin film is also explored by open aperture Z-Scan technique. Structural and physiochemical properties of the samples were investigated with the help of Fourier Transform Infrared Spectroscopy (FTIR) and Raman Spectroscopy (Raman).The results of FT-IR and Raman spectroscopy showed that the graphite is oxidized by strong oxidants and the oxygen atoms are introduced into the graphite layers forming C=C, O-H and –C-H groups. The synthesized sample has good crystalline nature with lesser defects. The nonlinear optical property of GO thin film was studied by open aperture Z-Scan technique using Q-switched Nd-Yag Laser at 532 nm. The Z-scan plot showed that the investigated GO thin film has saturable absorption behavior. The nonlinear absorption coefficient and saturation intensity were also estimated to explore its applications in Q switched mode locking laser systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Properties of dust in the Martian atmosphere and its effect on temperature structure

Data from the Viking lander imaging experiment and the IRIS experiment on board the Mariner 9 Orbiter are used to develop a one-dimensional radiative-convective model to describe the Mars temperature profile. Photography was employed to determine the optical depth, mean size, shape, visible absorption coefficient, and vertical distribution of aerosols in the Mars atmosphere. The calculation procedures are outlined, particularly for the particle size distribution function, which indicated a cross-sectional average particle radius of 2.5 microns. Dust-free conditions in the atmosphere near the equator and at lower altitudes permit full surface absorption of sunlight and subsequent adiabatic lapse rates. Difficulties were encountered in accurately modeling temperature profiles to fit Viking lander data, and resultant variations are attributed to effects of both suspended dust particles and large scale circulation.

Pollack, J. B.↗
NASA NTRS1974

Radiative transitions involving the (2p2)(3 Pe) metastable autodetaching of H(-)

The absorption coefficient for the free-bound transition H (ls) + e(-)+ h omega yields H(-)(2 sq p,(3)P(e)) is calculated (together with the differential emission rate for the inverse process) using ls - 2s - 2p close coupling continuum wave functions and a Hylleraas bound state wave function. A maximum in the absorption and emission spectra is found to occur at a photon wavelength of 1219.5 A, which is 2 A closer to the Lyman alpha line than predicted by the calculations of Drake, and is in closer agreement with the stellar absorption feature identified by Heap and Stecher. The free-bound absorption process appears to be a significant source of continuous ultraviolet opacity.

Jacobs, V. L.↗
NASA NTRS1975

Far infrared maser communications technology

An optically pumped FIR laser was constructed and tested. Optimum operating conditions were determined with CH3OH as the lasing medium. The laser was found to operate equally well with flowing gas or in a sealed off configuration. The FIR cavity stability and pump laser stability were found to have significant problems. The absorption coefficient per unit pressure of 1-1 difluoroethylene at the P(22) and P(24) lines of the 10.4 micron CO2 band was measured. The FIR line pumped by P(22) occurs at approximately 890 microns, which may be in an atmospheric transmission window. It was found that significant Stark tuning of absorption lines of methanol and 1-1 difluoroethylene can be accomplished, even at the usual 100 to 300 mTorr operating pressures of FIR lasers. This means that the use of Stark tuning may enable more effective use of pump laser output.

Claspy, P. C.↗
NASA NTRS2017

Investigation of a Bio-Inspired Liner Concept

Four samples of natural reeds, Phragmites australis, were tested in the NASA Langley and Glenn Normal Incidence Impedance Tubes in order to experimentally determine the acoustic absorption coefficients as a function of frequency from 400 to 3000 Hz. Six samples that mimicked the geometry of the assemblies of natural reeds were also designed and additively manufactured from ASA thermoplastic and tested. Results indicate that structures can be manufactured of synthetic materials that mimic the geometry and the low frequency acoustic absorption of natural reeds. This accomplishment demonstrates that a new class of structures can now be considered for a wide range of industrial products that need thin, lightweight, broadband acoustic absorption effective at frequencies below 1000 Hz. Aircraft engine acoustic liners and aircraft cabin acoustic liners, in particular, are two aviation applications that might benefit from further development of this concept.

aerodynamics↗
DOE OSTI2019

Optoelectronic properties of germanium iodide perovskites AGeI{sub 3} (A = K, Rb and Cs): first principles investigations

In this paper, we have investigated the structural, optoelectronic and elastic properties of AGeI{sub 3} (A = K, Rb and Cs) using the density functional theory with generalized gradient approximation (GGA) for potential exchange correlation. The modified Becke–Johnson (mBJ-GGA) potential approximation is also used for calculating the optoelectronic properties of the material. The results show that the band structure of the perovskites AGeI{sub 3} (have a semiconductor behavior with direct band gap at R–R direction, the gap energy values calculated with mBJ-GGA, for each compound as following: 0.58, 0.63, and 0.71 eV, respectively. The optical properties, such as real and imaginary parts of the dielectric functions, refractive index, reflectivity, conductivity and absorption coefficient are investigated. As results, these compounds are competent candidates photovoltaic application like light harvester.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Electronic, direct optical, and phonon-assisted optical properties of 4H Si from first principles

The cubic polytype of silicon (Si) is the most commercialized semiconductor material and finds applications in numerous electronic and optoelectronic devices, such as solar cells. However, recent reports on the synthesis of the hexagonal 4H Si polytype have attracted the attention of the scientific community to understand its functional properties. Here, we report the electronic, vibrational, and optical properties of the 4H Si polytype obtained with predictive first-principles calculations, with an emphasis of phonon-assisted absorption in the indirect regime. Compared to the cubic polytype, 4H Si shows a slightly narrower indirect gap by ∼0.05 eV. The calculated phonon-assisted optical spectra show that 4H Si exhibits a stronger absorption coefficient than cubic Si across the visible and IR spectral regions. We further evaluate the short-circuit current density of textured thin-films. We demonstrate that 4H Si can achieve the same short-circuit current density for a five times thinner film compared to the cubic polytype, which mainly resulted from absorption in the indirect gap regime. Our work demonstrates the advantages of 4H Si for thin-film silicon-based solar-cell applications.

Materials Science↗
DOE OSTI2015

Quantized impedance dealing with the damping behavior of the one-dimensional oscillator

A quantized impedance is proposed to theoretically establish the relationship between the atomic eigenfrequency and the intrinsic frequency of the one-dimensional oscillator in this paper. The classical oscillator is modified by the idea that the electron transition is treated as a charge-discharge process of a suggested capacitor with the capacitive energy equal to the energy level difference of the jumping electron. The quantized capacitance of the impedance interacting with the jumping electron can lead the resonant frequency of the oscillator to the same as the atomic eigenfrequency. The quantized resistance reflects that the damping coefficient of the oscillator is the mean collision frequency of the transition electron. In addition, the first and third order electric susceptibilities based on the oscillator are accordingly quantized. Our simulation of the hydrogen atom emission spectrum based on the proposed method agrees well with the experimental one. Our results exhibits that the one-dimensional oscillator with the quantized impedance may become useful in the estimations of the refractive index and one- or multi-photon absorption coefficients of some nonmagnetic media composed of hydrogen-like atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Preparation and characterization of the rod-shaped stibnite

Highlights: • A facile route to synthesize large-scale rod-like Sb{sub 2}S{sub 3} micro-wires was presented. • A deep analysis conjoint between band tails, band gap alteration and electrical model. • The band gap is 1.75 eV which may hold for solar energy conversion. - Abstract: Stibnite (Sb{sub 2}S{sub 3}) micro-wires have been grown on glass substrates by sulfuration of Sb thermal evaporated film in a vacuum sealed tube in presence of sulfur powder at 300 °C for 6 h. X-ray diffraction and Raman spectroscopy techniques indicate that the synthesized micro-wires have an orthorhombic structure. SEM micrographs show rod-shaped micro-wires with a typical length of several tens of micrometers and a diameter of the order of 0.5 μm. The absorption coefficient dependence on the photon energy in the UV–visible range revealed the existence of a direct transition with an energy band gap of about 1.7 eV. Moreover, the band tails and localized states which are related to the level of defects in the material will be presented. These parameters were determined from the exponential absorption profile. All these results have been evaluated and discussed in terms of alteration of band gap edge and electrical measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Optical characterization of Mg-doped ZnO thin films deposited by RF magnetron sputtering technique

This paper reports the in-depth analysis on optical characteristics of magnesium (Mg) doped zinc oxide (ZnO) thin films grown on p-silicon (Si) substrates by RF magnetron sputtering technique. The variable angle ellipsometer is used for the optical characterization of as-deposited thin films. The optical reflectance, transmission spectra and thickness of as-deposited thin films are measured in the spectral range of 300-800 nm with the help of the spectroscopic ellipsometer. The effect of Mg-doping on optical parameters such as optical bandgap, absorption coefficient, absorbance, extinction coefficient, refractive Index and dielectric constant for as-deposited thin films are extracted to show its application in optoelectronic and photonic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Tilted dipole model for bias-dependent photoluminescence pattern

In a guest-host system containing elongated dyes and a nematic liquid crystal, both molecules are aligned to each other. An external bias tilts these molecules and the radiation pattern of the system is altered. A model is proposed to describe this bias-dependent photoluminescence patterns. It divides the liquid crystal/dye layer into sub-layers that contain electric dipoles with specific tilt angles. Each sub-layer emits linearly polarized light. Its radiation pattern is toroidal and is determined by the tilt angle. Its intensity is assumed to be proportional to the power of excitation light absorbed by the sub-layer. This is calculated by the Lambert-Beer's Law. The absorption coefficient is assumed to be proportional to the cross-section of the tilted dipole moment, in analogy to the ellipsoid of refractive index, to evaluate the cross-section for each polarized component of the excitation light. Contributions from all the sub-layers are added to give a final expression for the radiation pattern. Self-absorption is neglected. The model is simplified by reducing the number of sub-layers. Analytical expressions are derived for a simple case that consists of a single layer with tilted dipoles sandwiched by two layers with horizontally-aligned dipoles. All the parameters except for the tilt angle can be determined by measuring transmittance of the excitation light. The model roughly reproduces the bias-dependent photoluminescence patterns of a cell containing 0.5 wt. % coumarin 6. It breaks down at large emission angles. Measured spectral changes suggest that the discrepancy is due to self-absorption and re-emission.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Thickness dependent optical and electrical properties of CdSe thin films

The effect of thickness on the optical and electrical properties of CdSe thin films is investigated in this paper. The films of thickness 445 nm, 631 nm and 810 nm were deposited on glass and ITO coated glass substrates using thermal evaporation technique. The deposited thin films were thermally annealed in air atmosphere at temperature 100°C and were subjected to UV-Vis spectrophotometer and source meter for optical and electrical analysis respectively. The absorption coefficient is observed to increase with photon energy and found maximum in higher photon energy region. The extinction coefficient and refractive index are also calculated. The electrical analysis shows that the electrical resistivity is observed to be decreased with thickness.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Inferring magnetospheric heavy ion density using EMIC waves

Abstract We present a method to infer heavy ion concentration ratios from electromagnetic ion cyclotron (EMIC) wave observations that result from ion‐ion hybrid (IIH) resonance. A key feature of the IIH resonance is the concentration of wave energy in a field‐aligned resonant mode that exhibits linear polarization. These mode‐converted waves at the IIH resonance are localized at the location where the frequency of a compressional wave driver matches the IIH resonance condition, which depends sensitively on the heavy ion concentration. This dependence makes it possible to estimate the heavy ion concentration ratio. In this paper, we evaluate the absorption coefficients at the IIH resonance at Earth's geosynchronous orbit for variable concentrations of He + and wave frequencies using a dipole magnetic field model. We find that the resonance only occurs over a limited range of wave frequency such that the IIH resonance frequency is close to but not exactly the same as the crossover frequency. Using the wave absorption and EMIC waves observed from the GOES 12 satellite, we demonstrate how this technique can be used to estimate the He + concentration of around 4% near L = 6.6 assuming electron‐H + ‐He + plasma.

Kim, Eun‐Hwa↗