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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural and opto-electronic properties of 2D AlSb monolayer

We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Optimisation of the parameters of a pump chamber for solid-state lasers with diode pumping by the optical boiler method

A pump chamber of the optical boiler type for solid-state lasers with transverse laser diode pumping is studied theoretically and experimentally. The pump chamber parameters are optimised using the geometrical optics approximation for the pump radiation. According to calculations, the integral absorption coefficient of the active element at a wavelength of 808 nm is 0.75 – 0.8 and the relative inhomogeneity of the pump radiation distribution over the active element volume is 17% – 19%. The developed pump chamber was used in a Nd:YAG laser. The maximum cw output power at a wavelength of 1064 nm was ∼480 W at the optical efficiency up to 19.6%, which agrees with theoretical estimates. (lasers)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Exploring the electronic and optical properties of AgInO{sub 2}

We computed the energy band and density of states for electronic properties while for optical properties we computed dielectric function, absorption coefficient, optical conductivity and refractive index. The origin of energy bands is interpreted in terms of density of states. The electronic transitions in energy bands are explained from frequency dependent dielectric constant. Our computed band structure predicts AgInO{sub 2} as indirect band gap semiconductor while from optical properties we have predicted importance of AgInO{sub 2} in photovoltaic applications. We also reported valence charge density for this compound. Our computed results are in better agreement with available experimental data than those of earlier theoretically reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Insights into Tetravalent Np Speciation in HNO 3 through Spectroelectrochemistry and Multivariate Analysis

In situ optical spectroscopy, spectropotentiometry, and multivariate analysis were applied to the Np(IV) nitrate system to better understand speciation and quantify HNO 3 concentration. Thin-layer spectropotentiometry, or spectroelectrochemistry, was leveraged to isolate and stabilize Np(IV) without compromising the solution conditions and generate representative Vis-NIR absorption spectra from 0.5 to 10 M HNO 3 and benchmark the corresponding Np(IV) molar absorptivity coefficients. Spectra were described with principal component analysis (PCA) to identify the purest Np(IV) absorbance spectra among other oxidation states [e.g., Np(V/VI)] at each acid concentration and then to identify the primary sources of variance within each Np(IV) spectrum with respect to Np(IV) nitrate complexes. Then, partial least-squares regression (PLSR) and support vector regression (SVR) models were built to predict HNO 3 concentration from the Np(IV) spectral data. The nonlinear SVR model outperformed the linear PLSR model for the HNO 3 concentration predictions. Finally, the inclusion of spectra collected in edge and center point HNO 3 concentrations in the calibration set was determined to be crucial for producing models with strong predictive capabilities. The multivariate approach used in this study makes it possible to quantify HNO 3 concentration solely based on Np(IV) absorption spectra, which is essential to quantifying processing streams in various online monitoring applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2014

Quantitative infrared absorption cross sections of isoprene for atmospheric measurements

Isoprene (C 5 H 8 , 2-methyl-1,3-butadiene) is a volatile organic compound (VOC) and is one of the primary contributors to annual global VOC emissions. Isoprene is produced primarily by vegetation as well as anthropogenic sources, and its OH- and O 3 -initiated oxidations are a major source of atmospheric oxygenated organics. Few quantitative infrared studies have been reported for isoprene, limiting the ability to quantify isoprene emissions via remote or in situ infrared detection. We thus report absorption cross sections and integrated band intensities for isoprene in the 600–6500 cm -1 region. The pressure-broadened (1 atmosphere N 2 ) spectra were recorded at 278, 298, and 323 K in a 19.94 cm path-length cell at 0.112 cm -1 resolution, using a Bruker IFS 66v/S Fourier transform infrared (FTIR) spectrometer. Composite spectra are derived from a minimum of seven isoprene sample pressures, each at one of three temperatures, and the number densities are normalized to 296 K and 1 atm.

Brauer, C. S.↗
DOE OSTI2020

Charge transfer states impact the triplet pair dynamics of singlet fission polymers

Polymers are desirable optoelectronic materials, stemming from their solution processability, tunable electronic properties, and large absorption coefficients. An exciting development is the recent discovery that singlet fission (SF), the conversion of a singlet exciton to a pair of triplet states, can occur along the backbone of an individual conjugated polymer chain. Here, compared to other intramolecular SF compounds, the nature of the triplet pair state in SF polymers remains poorly understood, hampering the development of new materials with optimized excited state dynamics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Optical layer development for thin films thermal conductivity measurement by pulsed photothermal radiometry

Measurement of thermal conductivity and volumetric specific heat of optically transparent thin films presents a challenge for optical-based measurement methods like pulsed photothermal radiometry. We present two approaches: (i) addition of an opaque optical layer to the surface and (ii) approximate correction of the mathematical model to incorporate semitransparency of the film. Different single layer and multilayer additive optical layers were tested. The materials of the optical layers were chosen according to analysis and measurement of their optical properties: emissivity and absorption coefficient. Presented are thermal properties’ measurement results for 6 different thin films with wide range of thermal conductivity in three configurations of surface: as deposited, added Ti layer, and added Ti/TiAlSiN layer. Measurements were done in dependence on temperature from room temperature to 500 °C. The obtained thermal effusivity evolution in time after the laser pulse shows different effects of the surface layers: apparent effusivity change and time delay. Suitability of different measurement configurations is discussed and results of high temperature testing of different optical layers are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Drying temperature effects on electrical and optical properties of poly[2-methoxy-5-(2’-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) thin film

Temperature effects on electrical and optical properties of a representative semiconducting polymer, poly[2-methoxy-5-(2’-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV), has recently attracted much attention. The MEH-PPV thin films were deposited at different drying temperature (anneal temperature) using spin-coating technique. The spin coating technique was used to produce uniform film onto large area. The MEH-PPV was dissolved in toluene solution to exhibits different optical and electrical properties. The absorption coefficient and bandgap was measured using UV-Visible-NIR (UV-VIS-NIR). The bandgap of MEH-PPV was effect by the thickness of thin films. For electrical properties, two-point probe was used to characterize the current-voltage measurement. The current-voltage measurement shows that the MEH-PPV thin films become more conductive at high temperature. This study will provide better performance and suitable for optoelectronic device especially OLEDs applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Aerosol remote sensing in polar regions

Multi-year sets of ground-based sun-photometer measurements conducted at 12 Arctic sites and 9 Antarctic sites were examined to determine daily mean values of aerosol optical thickness τ(λ) at visible and near-infrared wavelengths, from which best-fit values of Ångström's exponent α were calculated. Analysing these data, the monthly mean values of τ(0.50 μm) and α and the relative frequency histograms of the daily mean values of both parameters were determined for winter–spring and summer–autumn in the Arctic and for austral summer in Antarctica. The Arctic and Antarctic covariance plots of the seasonal median values of α versus τ(0.50 μm) showed: (i) a considerable increase in τ(0.50 μm) for the Arctic aerosol from summer to winter–spring, without marked changes in α; and (ii) a marked increase in τ(0.50 μm) passing from the Antarctic Plateau to coastal sites, whereas α decreased considerably due to the larger fraction of sea-salt aerosol. Good agreement was found when comparing ground-based sun-photometer measurements of τ(λ) and α at Arctic and Antarctic coastal sites with Microtops measurements conducted during numerous AERONET/MAN cruises from 2006 to 2013 in three Arctic Ocean sectors and in coastal and off-shore regions of the Southern Atlantic, Pacific, and Indian Oceans, and the Antarctic Peninsula. Lidar measurements were also examined to characterise vertical profiles of the aerosol backscattering coefficient measured throughout the year at Ny-Ålesund. Satellite-based MODIS, MISR, and AATSR retrievals of τ(λ) over large parts of the oceanic polar regions during spring and summer were in close agreement with ship-borne and coastal ground-based sun-photometer measurements. An overview of the chemical composition of mode particles is also presented, based on in-situ measurements at Arctic and Antarctic sites. Fourteen log-normal aerosol number size-distributions were defined to represent the average features of nuclei, accumulation and coarse mode particles for Arctic haze, summer background aerosol, Asian dust and boreal forest fire smoke, and for various background austral summer aerosol types at coastal and high-altitude Antarctic sites. The main columnar aerosol optical characteristics were determined for all 14 particle modes, based on in-situ measurements of the scattering and absorption coefficients. Diurnally averaged direct aerosol-induced radiative forcing and efficiency were calculated for a set of multimodal aerosol extinction models, using various Bidirectional Reflectance Distribution Function models over vegetation-covered, oceanic and snow-covered surfaces. These gave a reliable measure of the pronounced effects of aerosols on the radiation balance of the surface–atmosphere system over polar regions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Aerosol Remote Sensing in Polar Regions

Multi-year sets of ground-based sun-photometer measurements conducted at 12 Arctic sites and 9 Antarctic sites were examined to determine daily mean values of aerosol optical thickness tau(lambda) at visible and near-infrared wavelengths, from which best-fit values of Ångström's exponent alpha were calculated. Analyzing these data, the monthly mean values of tau(0.50 micrometers) and alpha and the relative frequency histograms of the daily mean values of both parameters were determined for winter-spring and summer-autumn in the Arctic and for austral summer in Antarctica. The Arctic and Antarctic covariance plots of the seasonal median values of alpha versus tau(0.50 micrometers) showed: (i) a considerable increase in tau(0.50 micrometers) for the Arctic aerosol from summer to winter-spring, without marked changes in alpha; and (ii) a marked increase in tau(0.50 micrometer) passing from the Antarctic Plateau to coastal sites, whereas alpha decreased considerably due to the larger fraction of sea-salt aerosol. Good agreement was found when comparing ground-based sun-photometer measurements of tau(lambda) and alpha at Arctic and Antarctic coastal sites with Microtops measurements conducted during numerous AERONET/MAN cruises from 2006 to 2013 in three Arctic Ocean sectors and in coastal and off-shore regions of the Southern Atlantic, Pacific, and Indian Oceans, and the Antarctic Peninsula. Lidar measurements were also examined to characterize vertical profiles of the aerosol backscattering coefficient measured throughout the year at Ny-Ålesund. Satellite-based MODIS, MISR, and AATSR retrievals of tau(lambda) over large parts of the oceanic polar regions during spring and summer were in close agreement with ship-borne and coastal ground-based sun-photometer measurements. An overview of the chemical composition of mode particles is also presented, based on in-situ measurements at Arctic and Antarctic sites. Fourteen log-normal aerosol number size-distributions were defined to represent the average features of nuclei, accumulation and coarse mode particles for Arctic haze, summer background aerosol, Asian dust and boreal forest fire smoke, and for various background austral summer aerosol types at coastal and high-altitude Antarctic sites. The main columnar aerosol optical characteristics were determined for all 14 particle modes, based on in-situ measurements of the scattering and absorption coefficients. Diurnally averaged direct aerosol-induced radiative forcing and efficiency were calculated for a set of multimodal aerosol extinction models, using various Bidirectional Reflectance Distribution Function models over vegetation-covered, oceanic and snow-covered surfaces. These gave a reliable measure of the pronounced effects of aerosols on the radiation balance of the surface-atmosphere system over polar regions.

Sun-photometer measurements↗
DOE OSTI2016

Generalized quantum efficiency analysis for non-ideal solar cells: Case of Cu{sub 2}ZnSnSe{sub 4}

Detailed quantum efficiency (QE) analysis of a nanoparticle-based Cu{sub 2}ZnSnSe{sub 4} (CZTSe) solar cell has been conducted to understand photogenerated carrier collection in the device. Specifically, voltage-dependent analysis has been considered to characterize both diffusion limitations and recombination limitations to carrier collection. Application of a generalized QE model and corresponding experimental and analytical procedures are presented to account for non-ideal device behavior, with specific consideration of photogenerated charge trapping, finite absorber thickness, back-surface recombination, and recombination of photogenerated carriers via interface, space-charge-region limited, and/or band tail limited recombination mechanisms. Analysis of diffusion limited collection results in extraction of the minority carrier diffusion length, mobility, back surface recombination velocity, and absorption coefficient. Additionally, forward bias QE measurements afford analysis of the dominant recombination mechanism for photogenerated carriers. For the analyzed CZTSe device, diffusion limitations are not expected to play a significant role in carrier collection in forward bias. However, voltage-dependent carrier collection, previously identified to contribute to open-circuit voltage limitations, is attributed to high recombination rates via band tail states/potential fluctuations in forward bias. A consideration of the assumptions commonly applied to diffusion length, band gap, and band tail extraction is also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Magnetism in dilute iron doped YN semiconductors

The full potential linearized augmented plane-wave (FP-LAPW) scheme of computation is used to explore the electronic and magnetic properties of Fe doped into YN. Band structure calculations show that YN is a semicon ductor with a narrow indirect band gap of 0.08 eV along Γ-X direction. Optical properties such as reflectivity, absorption coefficient are reported and are discussed on the basis of corresponding electronic structure. Spin polarized results indicate that the ground state of Y{sub 1-x}Fe{sub x}N (x=0.06, 0.12, 0.25) is ferromagnetic with a high moment on Fe-atom and zero moment on Y and N atoms, except in the case of 25 % doping. A discussion of the transport properties of YN and Y{sub 1-x}Fe{sub x}N is given in order to get insights of the Fe substitution effects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Theory of photovoltaic characteristics of semiconductor quantum dot solar cells

We develop a comprehensive rate equations model for semiconductor quantum dot solar cells (QDSCs). The model is based on the continuity equations with a proper account for quantum dots (QDs). A general analytical expression for the total current density is obtained, and the current-voltage characteristic is studied for several specific situations. The degradation in the open circuit voltage of the QDSC is shown to be due to strong spontaneous radiative recombination in QDs. Due to small absorption coefficient of the QD ensemble, the improvement in the short circuit current density is negligible if only one QD layer is used. If spontaneous radiative recombination would be suppressed in QDs, a QDSC with multiple QD layers would have significantly higher short circuit current density and power conversion efficiency than its conventional counterpart. The effects of photoexcitation of carriers from discrete-energy states in QDs to continuum-energy states are discussed. An extended model, which includes excited states in QDs, is also introduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Adaptive four-level modeling of laser cooling of solids

Laser cooling of rare-earth doped solids has been demonstrated across a wide range of material platforms, inspiring the development of simple phenomenological models such as the four-level model to elucidate the universal properties of laser cooling under various operating conditions. However, these models usually require the input of full absorption spectra that must be provided experimentally or by additional complicated atomic modeling. In this Letter, we propose that a four-level model, when extended to admit effective energy levels adaptive to the pumping photon energy, can accurately predict the cooling efficiency as a function of temperature and pumping frequency using only few inputs such as the absorption coefficient measured at a single frequency and temperature. Our model exploits the quasi-equilibrium properties of the excitation of rare-earth ions for the determination of the effective four energy levels. The model is validated against published experimental results for a span of materials including ytterbium/thulium-doped glass and crystals. With the verified model, we derive explicit expressions for the optimal frequency and the operating bandwidth of pumping lasers. Our model significantly simplifies the modeling process of laser cooling and is expected to stimulate further development of optical refrigeration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Atmospheric Brown Carbon on the Tibetan Plateau: Regional Differences in Chemical Composition and Light Absorption Properties

In this work, fine particulate matter (PM 2.5 ) filter samples were collected from two high-altitude remote sites located in the southern (QOMS) and northern (WLG) regions of the Tibetan Plateau (TP) to explore the regional differences in brown carbon (BrC) properties. Chemical differences in BrC composition representative of these two areas were inferred from molecular-level analysis of the PM 2.5 samples using high-performance liquid chromatography coupled with photodiode array and high-resolution mass spectrometry detectors. The results show that more polar BrC chromophores were abundant in QOMS samples, while contributions from polar and less polar chromophores were comparable in WLG samples. A higher mass absorption coefficient of BrC was observed at QOMS than at WLG. Strong BrC chromophores in QOMS samples were identified as oxygenated aromatics and nitrophenol compounds, while organosulfate compounds were found in the WLG sample. The results of this study indicate regional differences in BrC chromophores and provide insights into their sources and chemical processes, which should be considered for predictive understanding and modeling of the radiative forcing of aerosol in the TP area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Nanosecond and ultrafast optical power limiting in luminescent Fe{sub 2}O{sub 3} hexagonal nanomorphotype

Nonlinear optical absorption and optical power limiting properties of Fe{sub 2}O{sub 3} hexagonal nanomorphotype are investigated using open aperture Z-scan technique with the 5 ns and 100 fs laser pulses, at 532 nm and 800 nm excitation domains. At relatively low pulse energies (below 5 μJ), sample shows saturable absorption (SA), but on going to the higher energies an interesting switchover from saturable absorption to effective two photon absorption is observed in both excitation domains. The magnitude of effective two photon absorption coefficients is calculated to be in the range of 10{sup −10} m/W for nanosecond and 10{sup −15} m/W for femtosecond laser pulse energies, respectively. XRD and TEM study reveals the polycrystalline nature, hexagonal morphology, and size of the nanostructure. The luminescence emission property is examined by photoluminescence spectroscopy (PL). It is found that some strange features exist in the luminescence spectra that are consistent with the nanoparticles size distribution. The PL emission lines are explained as originated from various optical band edges due to the size induced quantum confinement and band gap resonant PL absorption/emission behavior of semiconductor nanostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Measurements of water molecule isotopomer concentrations in a discharge of inert gas with addition of H{sub 2}O and D{sub 2} vapours by the method of external-cavity diode laser spectroscopy

Discharge plasma in inert gases with added water vapours and deuterium is studied by using the optimised diode laser spectroscopy with an external cavity. Formation of a spectrally dense grid of cavity transverse mode eigenfrequencies allows one to determine the parameters of Doppler broadening for absorption lines, a kinetic temperature of molecules, and their statistical sums. By using these parameters and the value of an absorption coefficient, correlations of concentrations are found for H{sub 2}O and HDO isotopomers at various ratios of plasma-forming gas components. An important contribution of initial gas molecules adsorbed on walls into the formation of plasma composition is stressed. It is found that the ratio of H{sub 2}O and HDO concentrations is the same at various ratios of H{sub 2}O and D{sub 2} concentrations in plasma-forming gases and is constant during the discharge burning process. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Optical feedback cavity-enhanced absorption spectroscopy with a 3.24 μm interband cascade laser

The development of interband cascade lasers (ICLs) has made the strong C-H transitions in the 3 μm spectral region increasingly accessible. We present the demonstration of a single mode distributed feedback ICL coupled to a V-shaped optical cavity in an optical feedback cavity-enhanced absorption spectroscopy (OF-CEAS) experiment. We achieved a minimum detectable absorption coefficient, α{sub min}, of (7.1±0.2)×10{sup −8} cm{sup −1} for a spectrum of CH{sub 4} at 3.24 μm with a two second acquisition time (100 scans averaged). This corresponds to a detection limit of 3 ppb CH{sub 4} at atmospheric pressure, which is comparable to previously reported OF-CEAS instruments with diode lasers or quantum cascade lasers. The ability to frequency lock an ICL source in the important 3 μm region to an optical cavity holds great promise for future spectroscopic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗