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At least 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Using Lightning Flashes to Image Thunderclouds

We report the optical energy emitted by lightning flashes interacts with the surrounding cloud medium through scattering and absorption. The optical signals recorded by space-based lightning imagers describe a convolution of lightning flash energetics and radiative transfer effects in the intervening cloud layer. A thundercloud imaging technique is presented that characterizes cloud regions based on how they are illuminated by lightning. This technique models the spatial distribution of optical energy in radiant lightning pulses to determine whether and to what extent each illuminated cloud pixel behaves like a homogeneous planar cloud layer. A gridded product is constructed that differentiates flashes that illuminate convective cells from stratiform flashes with long horizontal channels and anvil flashes whose optical emissions reflect off of nearby cloud surfaces. Lastly, producing this imagery with a rolling 15-min window allows us to visualize changes in convection with a rapid (20 s) update cycle.

58 GEOSCIENCES↗
DOE OSTI2019

Investigation of the Photoinduced axial ligation process in the excited state of nickel (II) phthalocyanine

Photoinduced axial ligation process in the excited state of nickel(II) octabutoxyphthalocyanine (NiPcOBu8) in pyridine solvent has been investigated by ultrafast optical transient absorption and X-ray transient absorption spectroscopies. Although Ni phthalocyanine complexes have been reported to have no tendency to form sixcoordinate structure, the (d(z2),d(x2-y2)) state of NiPcOBu8 generated by photoexcitation of Q-band was discovered to axially ligate with the pyridine molecule very rapidly, on a timescale of (similar to)100 ps. Although the presence of an excited unligated (d,d) state cannot be confirmed due to the time resolution limit of the synchrotron X-ray probe pulse with (similar to)80 ps FWHM, the biexponential kinetics of the ground state recovery detected by the is 1s -> 4pz feature suggests the decay of the unligated (d,d) species with an 82ps time constant, while that of the ligated NiPcOBu8 species is 3-5 ns. The photoinduced ligation dynamics of NiPcOBu8 is vastly different compared to that of Ni porphyrin complexes. This study provides a structural basis on the ligation chemistry in both the ground and excited states of nickel complexes based on their electronic and nuclear structures.

Excited state structural dynamics↗
DOE OSTI2023

Mapping the Ultrafast Mechanistic Pathways of Co Photocatalysts in Pure Water through Time‐Resolved X‐ray Spectroscopy

Abstract Nanosecond time‐resolved X‐ray (tr‐XAS) and optical transient absorption spectroscopy (OTA) are applied to study 3 multimolecular photocatalytic systems with [Ru(bpy) 3 ] 2+ photoabsorber, ascorbic acid electron donor and Co catalysts with methylene ( 1 ), hydroxomethylene ( 2 ) and methyl ( 3 ) amine substituents in pure water. OTA and tr‐XAS of 1 and 2 show that the favored catalytic pathway involves reductive quenching of the excited photosensitizer and electron transfer to the catalyst to form a Co II square pyramidal intermediate with a bonded aqua molecule followed by a Co I square planar derivative that decays within ≈8 μs. By contrast, a Co I square pyramidal intermediate with a longer decay lifetime of ≈35 μs is formed from an analogous Co II geometry for 3 in H 2 O. These results highlight the protonation of Co I to form the elusive hydride species to be the rate limiting step and show that the catalytic rate can be enhanced through hydrogen containing pendant amines that act as H−H bond formation proton relays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Tracking the Light-Induced Excited-State Dynamics and Structural Configurations of an Extraordinarily Long-Lived Metastable State at Room Temperature

Time-resolved X-ray (Tr-XAS) and optical transient absorption (OTA) spectroscopy in the pico-microsecond time scale coupled with Density Functional theory calculations are applied to study the light-induced spin crossover processes of a Fe-based macrocyclic complex in solution. Tr-XAS analysis after light illumination shows the formation of a seven-coordinated high spin quintet metastable state which relaxes to a six-coordinated high spin configuration before decaying to ground state. Kinetic analysis of the macrocyclic complex reveals an unprecedented long-lived decay lifetime of ~42.6 µs. Comparative studies with a non-macrocyclic counterpart illustrate a significantly shortened ~568-old decay lifetime of ~75 ns, and highlight the importance of the ligand arrangement in stabilizing the reactivity of the excited state. Lastly, OTA analysis shows the seven-coordinated high spin state to be formed within ~6.2 ps. Finally, these findings provide a complete understanding of the spin crossover reaction and relaxation pathways of the macrocyclic complex, and reveal the importance of a flexible coordination environment for their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Effect of Thermodenuding on the Structure of Nascent Flame Soot Aggregates

The optical properties (absorption and scattering) of soot particles depend on soot size and index of refraction, but also on the soot complex morphology and the internal mixing with materials that can condense on a freshly emitted (nascent) soot particle and coat it. This coating can affect the soot optical properties by refracting light, or by changing the soot aggregate structure. A common approach to studying the effect of coating on soot optical properties is to measure the absorption and scattering coefficients in ambient air, and then measure them again after removing the coating using a thermodenuder. In this approach, it is assumed that: (1) most of the coating material is removed; (2) charred organic coating does not add to the refractory carbon; (3) oxidation of soot is negligible; and, (4) the structure of the pre-existing soot core is left unaltered, despite the potential oxidation of the core at elevated temperatures. In this study, we investigated the validity of the last assumption, by studying the effect of thermodenuding on the morphology of nascent soot. To this end, we analyzed the morphological properties of laboratory generated nascent soot, before and after thermodenuding. Our investigation shows that there is only minor restructuring of nascent soot by thermodenuding

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Retrieving Aerosol Characteristics From the PACE Mission, Part 1: Ocean Color Instrument

NASA’s Plankton, Aerosol, Clouds, ocean Ecosystem (PACE) satellite mission is scheduled to launch in 2022, with the Ocean Color Instrument (OCI) on board. For the first time reflected sunlight from the Earth across a broad spectrum from the ultraviolet (UV: 350 nm) to the short wave infrared (SWIR: 2260 nm) will be measured from a single instrument at 1 km spatial resolution. While seven discrete bands will represent the SWIR, the spectrum from 350 to 890 nm will be continuously covered with a spectral resolution of 5 nm. OCI will thus combine in a single instrument (and at an enhanced spatial resolution for the UV) the heritage capabilities of the Moderate resolution Imaging Spectroradiometer (MODIS) and the Ozone Monitoring Instrument (OMI), while covering the oxygen A-band (O2A). Designed for ocean color and ocean biology retrievals, OCI also enables continuation of heritage satellite aerosol products and the development of new aerosol characterization from space. In particular the combination of MODIS and OMI characteristics allows deriving aerosol height, absorption and optical depth along with a measure of particle size distribution. This is achieved by using the traditional MODIS visible-to-SWIR wavelengths to constrain spectral aerosol optical depth and particle size. Extrapolating this information to the UV channels allows retrieval of aerosol absorption and layer height. A more direct method to derive aerosol layer height makes use of O2A absorption methods, despite the relative coarseness of the nominal 5 nm spectral resolution of OCI. Altogether the PACE mission with OCI will be an unprecedented opportunity for aerosol characterization that will continue climate data records from the past decades and propel aerosol science forward toward new opportunities.

PACE↗
NASA NTRS2001

Asymptotic Solutions for Optical Properties of Large Particles with Strong Absorption

The transverse wave condition is not applicable to the refracted electromagnetic wave within the context of geometrical optics when absorption is involved. Either the transverse magnetic (TM) or the transverse electric (TE) wave condition can be assumed for the wave to locally satisfy the electromagnetic boundary condition in a ray-tracing calculation. The assumed wave mode affects both the reflection and the refraction coefficients. As a result, nonunique solutions for these coefficients are inevitable. In this study the appropriate solutions for the Fresnel reflection-refraction coefficients are identified in light-scattering calculations based on the ray-tracing technique. In particular, a 3x2 refraction or transmission matrix is derived to account for the inhomogeneity of the refracted wave in an absorbing medium. An asymptotic solution that completely includes the effect of medium absorption on Fresnel coefficients is obtained for the scattering properties of a general polyhedral particle. Numerical results are presented for hexagonal plates and columns with both preferred and random orientations.

Yang, Ping↗
DOE OSTI2018

Major improvements on the longwave radiative interactions between surface and clouds in the Polar Regions in atmospheric global circulation model (GCM). Final Project Report

1. Summary of Work and Accomplishments in Year 1 (01/15/2015-01/14/2016). We developed new ice cloud parameterizations based on state-of-the-art MODIS Collection 6 (MC6) ice particle model. Features of the model include the consideration of surface roughness of ice crystals and spectral consistency in cloud property retrievals. Using more than 14,000 particle size distributions (PSDs) from in-situ measurements and the latest ice particle single-scattering property library, our parameterizations provide band-averaged bulk-scattering properties. According to statistics of fittings, the parameterization schemes represent the band-averaged bulk-scattering properties very well. Compared to the ice particle model developed by Fu (1998), flux simulations with the MC6 particle model result in larger upward flux at the top of the atmosphere (TOA) and smaller at the surface for typical cirrus clouds. In the assessment of the effect of longwave light scattering, our results also support the conclusions of previous studies. The error in flux calculations reaches about 10 W/m 2 when a cirrus cloud is thin and its particle size is small. 2. Summary of Work and Accomplishments in Year 2 (01/15/2016-01/14/2017) Clouds are a major modulator of the global radiation budgets. However, representations of clouds in general circulation models (GCMs) neglect many important processes, particularly those related to ice clouds. One major uncertainty source is the radiative transfer scheme in GCMs. To reduce the computational burden in most GCMs, absorption is the only radiative transfer process considered in longwave spectral bands. Recently, a state-of-the-art MC6 ice model has been available, which provides spectral consistency in ice cloud retrievals. With an advanced light scattering library for ice particles, we performed sensitivity studies of the potential impacts on the climate including light scattering for MC6 model and other 11 ice cloud models. Specifically, we modified RRTMG_LW (the GCM version of Longwave Rapid Radiative Transfer Model), a radiative transfer module widely used in GCMs and numerical prediction models, to identify flux simulation differences with and without considering light scattering processes. The simulations with light scattering come from a rigorous radiative solver, DISORT (Discrete Ordinates Radiative Transfer Program for a Multi-Layered Plane-Parallel Medium), are used as benchmarks. The results show that the weighted annual mean biases of RRTMG_LW for the upward flux at the top of the atmosphere, the downward flux at the surface, and the net flux into the atmosphere are about 0.8 ± 0.3, -0.1 ± 0.05, and -0.7 ± 0.3 W m-2, respectively. According to the different the ice crystal shapes, the weighted annual mean bias for heating rate is about -0.006 ± 0.02 to 0.04 K/day. 3. Summary of Work and Accomplishments in Year 3 (01/15/2017-01/14/2018) Since absorption dominates optical properties of clouds in the longwave (LW) spectrum, most of general circulation models (GCMs) only take absorption properties of clouds into account in the radiative transfer modules in order to reduce computational costs. To quantify the biases of excluding LW scattering when clouds exist, we simulated fluxes and heating rates by using satellite data from Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), CloudSat, Clouds and the Earth’s Radiant Energy System (CERES) and Moderate Resolution Imaging Spectrometer (MODIS) merged products (CCCM) in 2010. In annual global average, neglecting LW scattering causes overestimation by 2.6 W/m 2 for the top-of-atmosphere (TOA) upward fluxes and underestimation by 1.2 W/m 2 for surface downward fluxes. In particular, regional extreme biases are approximately 12 W/m 2 for TOA upward fluxes and are approximately -3.6 W/m 2 for surface downward fluxes, or are approximately 5% of the global averaged outgoing longwave radiation (OLR) and 1% of the global averaged surface downward fluxes, respectively. In terms of heating rates, on average, LW scattering heats the whole atmosphere column by 0.0045 K/day, heats the cloud layers by 0.0420 K/day, heats the surface by 0.028 K/day, and cools the tropopause by 0.018 K/day.

58 GEOSCIENCES↗
DOE OSTI2016

Electronic band structure and optical properties of antimony selenide under pressure

In this work we present the optical properties of Antimony Selenide (Sb{sub 2}Se{sub 3}) under ambient conditions and under pressure of 9.2 GPa obtained using first principles calculations. We investigated the electronic band structure using the FP-LAPW method within the sphere of the density functional theory. Optical properties like refractive index, absorption coefficient and optical conductivity are calculated using the WIEN2k code.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Crystalline Silicon Solar Cells

Most solar cells are fabricated from crystalline or semicrystalline silicon since they are relatively inexpensive starting materials and the resulting solar cells are very efficient. As a result, the optical properties of silicon are extremely important in many aspects of solar cell manufacture, and have been determined by many groups using several techniques. The most reliable values of the optical functions of silicon have been determined using spectroscopic ellipsometry, augmented by optical transmission measurements of the absorption coefficient for wavelengths greater than 700 nm. Obviously, these optical functions depend on the wavelength of light, but they also depend significantly on temperature and morphology. Several thin films are very important to solar cell manufacture, including silicon nitride, silicon dioxide, and aluminum oxide. While the optical properties of these thin films are strong functions of deposition conditions, spectroscopic ellipsometry is ideal for characterizing them. This work will present recent spectroscopic ellipsometry data and optical transmission data from which the optical functions of silicon are obtained. The optical transmission data have been fit from 700 to 1200 nm to a modification of Macfarlane’s et al. formula [Phys. Rev. 111, (1958) 759], resulting in a reduced χ2 of 0.84. This formulation is particularly valuable in that it gives the optical absorption coefficient from 700 to 1200 nm as a function of both wavelength and temperature.

Jellison Jr, Gerald Earle↗
DOE OSTI2023

Synthesis and optical properties of phosphorus doped ZnO: X-ray absorption, X-ray emission, and X-ray excited optical luminescence studies

Abstract Over the past decades, zinc oxide semiconductor and its derivatives have been extensively developed because of its optoelectronic properties. Since ZnO is an intrinsic n-type semiconductor, how to synthesize high-quality p-type ZnO semiconductors and investigate their optoelectronic properties and local chemical structures are important and necessary. In this article, two studies of synthesizing both undoped and phosphorus-doped ZnO nanostructures by hydrothermal method and chemical vapor deposition (CVD) technique are presented. Scanning electron microscopy (SEM) and laboratory X-ray diffraction (XRD) are used to track the surface morphology and the crystalline structure of both undoped and phosphorus doped ZnO nanostructures, respectively. X-ray absorption near edge structures (XANES), X-ray emission spectroscopy (XES) and X-ray excited optical luminescence (XEOL) are also used to determine the local chemical information of both undoped and phosphorus-doped ZnO nano/microstructures such as local symmetry and optical properties. It is found that the phosphorus is successfully doped into the surface of ZnO and substituted the Zn. The phosphorus-doped ZnO products have better crystallinity and less oxygen vacancies on the surface. These two are correlated as one leads to the other. The XEOL results suggest that the average bandgap for undoped and phosphorus doped ZnO is the same, 3.24 eV. The second derivative of the absorption-emission spectra yields the fundamental bandgap for undoped ZnO and phosphorus-doped ZnO is 3.25 eV. The implication of this observation is discussed.

Chemistry↗
DOE OSTI2018

Photothermoelastic contrast in nanoscale infrared spectroscopy

The contrast formation mechanism in nanoscale Infrared (IR) Spectroscopy is analyzed. The temperature distribution and elastic displacement across the illuminated T-shape boundary between two materials with different IR-radiation absorption coefficients and thermo-physical and elastic properties located on a rigid substrate are calculated self-consistently for different frequencies f ~ (1 kHz–1 MHz) of IR-radiation modulation (fully coupled problem). Analytical expressions for the temperature and displacement profiles across the “thermo-elastic step” are derived in the decoupling approximation for f = 0 (“static limit”), and conditions for approximation validity at low frequencies of IR-modulation are established. The step height was found to be thickness-independent for thick layers and proportional to the square of the thickness for very thin films. The theoretical results will be of potential interest for applications in the scanning thermo-ionic and thermal infrared microscopies for relatively long sample thermalization times and possibly for photothermal induced resonance microscopy using optomechanical probes.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Optical-property coefficient estimation of bulky medium in experiments with a succinctly analytical calculation

Diffuse optical imaging enables to reconstruct distribution of optical properties, absorption and scattering coefficients, in tissue for breast cancer detection based on diffusion equation with the help of the initial guess obtained from measured data. To estimate the initial guess of the optical-property coefficients, an analytical solution of diffusion equation can be used and compared with the measured data. The analytical solution for a homogeneous infinite medium can be obtained in the frequency domain, expressing that the photon intensity and the phase lag relative to the distance between source and detector in a linear relationship. In this study, a succinct calculation using the trigonometric relation is proposed to estimate the optical-property coefficients. A tank-type and a cylinder Lipovenoes phantoms with two concentrations of 1.25% and 2.5% are employed and measured for verification. It is found that the method proposed here shows better results and results in estimation errors of 0–14.81% for μ{sub a} and 20–42% for μ{sub s}′.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Understanding the optical properties of ZnO{sub 1−x}S{sub x} and ZnO{sub 1−x}Se{sub x} alloys

ZnO{sub 1−x}Y{sub x} with chalcogen element Y exhibits intriguing optoelectronic properties as the alloying strongly impacts the band-gap energy E{sub g}(x). In this work, we analyze and compare the electronic structures and the dielectric responses of Zn(O,S) and Zn(O,Se) alloys by means of the density functional theory and the partially self-consistent GW approach. We model the crystalline stability from the total energies, and the results indicate that Zn(O,S) is more stable as alloy than Zn(O,Se). We demonstrate also that ion relaxation strongly affects total energies, and that the band-gap bowing depends primarily on local relaxation of the bonds. Moreover, we show that the composition dependent band-gap needs to be analyzed by the band anti-crossing model for small alloying concentration, while the alloying band-bowing model is accurate for strong alloying. We find that the Se-based alloys have a stronger change in the band-gap energy (for instance, ΔE{sub g}(0.50) = E{sub g}(ZnO) – E{sub g}(x = 0.50) ≈ 2.2 eV) compared with that of the S-based alloy (ΔE{sub g}(0.50) = 1.2 eV), mainly due to a stronger relaxation of the Zn–anion bonds that affects the electronic structure near the band edges. The optical properties of the alloys are discussed in terms of the complex dielectric function ε(ω) = ε{sub 1}(ω) + iε{sub 2}(ω) and the absorption coefficient α(ω). While the large band-gap bowing directly impacts the low-energy absorption spectra, the high-frequency dielectric constant ε{sub ∞} is correlated to the intensity of the dielectric response at energies above 4 eV. Therefore, the dielectric constant is only weakly affected by the non-linear band-gap variation. Despite strong structural relaxation, the high absorption coefficients of the alloys demonstrate that the alloys have well-behaved optoelectronic properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2005

Influence of a fat layer on the near infrared spectra of human muscle: quantitative analysis based on two-layered Monte Carlo simulations and phantom experiments

The influence of fat thickness on the diffuse reflectance spectra of muscle in the near infrared (NIR) region is studied by Monte Carlo simulations of a two-layer structure and with phantom experiments. A polynomial relationship was established between the fat thickness and the detected diffuse reflectance. The influence of a range of optical coefficients (absorption and reduced scattering) for fat and muscle over the known range of human physiological values was also investigated. Subject-to-subject variation in the fat optical coefficients and thickness can be ignored if the fat thickness is less than 5 mm. A method was proposed to correct the fat thickness influence. c2005 Optical Society of America.

NASA Discipline Life Sciences Technologies↗
DOE OSTI2015

Ultraviolet ISM diagnostics for star-forming galaxies. I. Tracers of metallicity and extinction

We have observed a sample of 14 nearby (z∼0.03) star-forming blue compact galaxies (BCGs) in the rest-frame far-UV (∼1150–2200 Å) using the Cosmic Origins Spectrograph on the Hubble Space Telescope. We have also generated a grid of stellar population synthesis models using the Starburst99 evolutionary synthesis code, allowing us to compare observations and theoretical predictions for the Si iv-1400 and C iv-1550 UV indices; both are comprised of a blend of stellar wind and interstellar lines and have been proposed as metallicity diagnostics in the UV. Our models and observations both demonstrate that there is a positive linear correlation with metallicity for both indices, and we find generally good agreement between our observations and the predictions of the Starburst99 models (with the models slightly under-estimating the value of the indices due to contributions from interstellar lines not simulated by a stellar population synthesis code). By combining the rest-frame UV observations with pre-existing rest-frame optical spectrophotometry of our BCG sample, we also directly compare the predictions of metallicity and extinction diagnostics across both wavelength regimes. This comparison reveals a correlation between the UV absorption and optical strong-line diagnostics, offering the first means of directly comparing interstellar medium (ISM) properties determined across different rest-frame regimes. Finally, using our Starburst99 model grid, we determine theoretical values for the short-wavelength UV continuum slope, β{sub 18}, which can be used for determining extinction in rest-frame UV spectra of star-forming galaxies. We consider the implications of these results and discuss future work aimed at parameterizing these and other environmental diagnostics in the UV (a suite of diagnostics that could offer particular utility in the study of star-forming galaxies at high redshift) as well as the development of robust comparisons between ISM diagnostics across a broad wavelength baseline.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

The absorption line spectrum of 1331 + 170.

The absorption-rich optical and near-infrared spectrum of the quasi-stellar object 1331 + 170 is analyzed. The emission-line redshift is about 2.08, and at least three absorption systems are shown to be present; the absorption redshifts are 1.7755, 1.7851, and 1.9637. We conclude that the absorbing material giving rise to the three systems is intrinsic to the QSO despite the high velocity difference between emission and absorption systems and the low velocity dispersion within each absorption system.

Strittmatter, P. A.↗
DOE OSTI2018

Optical nonlinear properties and dynamics of interband transitions in multilayer MoS{sub 2} structures under femtosecond excitation at a wavelength of 514 nm

The optical nonlinear absorption and bleaching of aqueous suspensions of multilayer MoS{sub 2} sheets (structural modification 2H) under excitation by a 400-fs pulse at a wavelength of 514 nm is investigated using longitudinal scanning. The sample exhibits nonlinear absorption at intensities up to 15 GW cm{sup −2}, while a further increase in intensity to 70 GW cm{sup −2} causes nonlinear bleaching with a relative change in transmission to 14 %. The dynamics of interband transitions in the picosecond range is studied by femtosecond laser photolysis. The relaxation time of photoexcited excitons is measured to be 20 ± 2 ps. The transition dynamics is calculated in the three-level approximation, and the absorption cross sections of photoinduced electron transitions from the valence band to the conduction band and from the first to the second conduction band are estimated. It is shown that the optical nonlinear properties of suspensions of multilayer 2H MoS{sub 2} sheets are mainly determined by the dynamics of single-photon interband transitions. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗