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At least 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

On absorbing boundary conditions for linearized Euler equations by a perfectly matched layer

Recently, Berenger introduced a Perfectly Matched Layer (PML) technique for absorbing electromagnetic waves. In the present paper, a perfectly matched layer is proposed for absorbing out-going two-dimensional waves in a uniform mean flow, generated by linearized Euler equations. It is well known that the linearized Euler equations support acoustic waves, which travel with the speed of sound relative to the mean flow, and vorticity and entropy waves, which travel with the mean flow. The PML equations to be used at a region adjacent to the artificial boundary for absorbing these linear waves are defined. Plane waves solutions to the PML equations are developed and wave propagation and absorption properties are given. It is shown that the theoretical reflection coefficients at an interface between the Euler and PML domains are zero, independent of the angle of incidence and frequency of the waves. As such, the present study points out a possible alternative approach for absorbing out-going waves of the Euler equations with little or no reflection in computation. Numerical examples that demonstrate the validity of the proposed PML equations are also presented.

Hu, Fang Q.↗
NASA NTRS1993

Kinetics and Mechanism of the CIO + CIO Reaction: Pressure and Temperature Dependences of the Bimolecular and Termolecular Channels andThermal Decomposition of Chlorine Peroxide, CIOOCI

The kinetics and mechanism of the CIO + CIO reaction and the thermal decomposition of CIOOCI were studied using the flash photolysis/long path ultraviolet absorption technique. Pressure and temperature dependences were determined for the rate coefficients for the bimolecular and termolecular reaction channels, and for the thermal decompositon of CIOOCI.

Kinetics Thermal Decomposition Biomolecul↗
NASA NTRSDate not supplied

Principal Component and Machine Learning Approach to Gap Fill Hyperspectral Ocean Color Satellite Retrievals

Retrievals of ocean color properties from space are important for monitoring the health of the ocean ecosystem but such retrievals can be limited spatially due to conditions such as clouds, aerosols, and sun glint. Gap filling of ocean color retrievals is typically performed by combining retrievals from multiple satellites or temporally averaging multiple days of retrievals. Despite these techniques large gaps still exist posing challenges for near real time monitoring of events like harmful algae blooms. To address these limitations, we developed a spatial gap filling approach applying machine learning approach to hyperspectral instruments to learn how to perform an atmospheric correction under challenging retrieval conditions. In this approach a principal component analysis is used to decompose the hyperspectral measurements into spectral components that describe the scattering and absorption of the atmosphere mixed with the surface spectral signatures. The coefficients of the principal components are used to train a neural network to predict ocean color properties derived from a standard MODIS ocean color algorithm. We apply the approach to two hyperspectral UV/VIS sensors, the Ozone Monitoring Instrument (OMI) and TROPOspheric Monitoring Instrument (TROPOMI) to show that it can be used to estimate ocean color properties such as chlorophyll, remote sensing reflectance, and fluorescence line height. This method could be used as a gap-filling technique for the future Ocean Color Instrument (OCI) onboard upcoming NASA's Plankton, Aerosol Cloud, ocean Ecosystem (PACE) satellite to provide additional information for monitoring the health of our global oceans. Additionally, it could be applied to the first NASA and Smithsonian geostationary Tropospheric Emissions: Monitoring of Pollution (TEMPO) spectrometer to better understand diurnal variability in inland and coastal ocean ecology.

Zachary Fasnacht↗
NASA NTRSDate not supplied

A Principal Component and Machine Learning Approach to Spatially Gap Fill Hyperspectral Ocean Color Satellite Retrievals

Retrievals of ocean color properties from space are important for monitoring the health of the ocean ecosystem but such retrievals tend to be limited in spatial coverage due to conditions such as clouds, aerosols, and sun glint. Gap filling of ocean color retrievals is typically performed by combining retrievals from multiple satellites or temporally averaging multiple days of retrievals but despite these techniques large gaps still exist posing challenges for near real time monitoring of events like harmful algae blooms. To address these limitations, we propose a spatial gap filling approach using machine learning to learn how to perform an atmospheric correction under challenging retrieval conditions. In this approach a principal component analysis is used to decompose the hyperspectral measurements into spectral features that describe the scattering and absorption of the atmosphere as well as the underlying surface. The coefficients of the principal components are then used to train a neural network to predict ocean color properties derived from a standard ocean color algorithm such as the MODIS atmospheric correction algorithm. This machine learning approach is independent of a priori information and does not rely on any radiative transfer modeling. We apply the approach to two hyperspectral UV/VIS instruments, the Ozone Monitoring Instrument (OMI) and TROPOspheric Monitoring Instrument (TROPOMI) to show that it can be used to estimate ocean color properties such as chlorophyll, remote sensing reflectance, and fluorescence line height. This method could be used as a gap-filling technique for the future Ocean Color Instrument (OCI) which will be onboard NASA's Plankton, Aerosol Cloud, ocean Ecosystem (PACE) ocean color satellite to provide additional information for monitoring the health of our global oceans. Additionally, it could be applied to the geostationary satellite Tropospheric Emissions: Monitoring of Pollution (TEMPO) to better understand diurnal variability in ocean ecology.

MODIS atmospheric correction algorithm↗
DOE OSTI2026

Radiation-induced segregation in dilute Fe–Cr: A rate-theory framework for the Cr enrichment–depletion transition at the grain boundary

Radiation-induced segregation (RIS) poses a significant challenge for ferritic Fe–Cr alloys under irradiation, as it can compromise mechanical integrity and increase susceptibility to intergranular corrosion. Yet, the mechanisms governing Cr segregation remain incompletely understood. Here, in this study, we present a physics-based rate-theory model parameterized using self-consistent mean field theory-based Onsager transport coefficients to investigate RIS at the grain boundary in dilute Fe-(0.1 at. %) Cr. Under equal production rates of vacancies and self-interstitial atoms (SIA), and their equal absorption rates by bulk dislocations, the model simulates the experimentally observed transition from Cr enrichment at low temperatures to depletion at higher temperatures. Under these unbiased conditions, systematic investigation reveals that while temperature-dependent transport properties dictate the segregation direction, dose rate, grain size, and dislocation density only influence the magnitude and spatial extent of Cr segregation. However, under more realistic conditions of preferential vacancy production within damage cascade and/or preferential SIA absorption by bulk dislocations, the enrichment-to-depletion transition shifts to lower temperatures. Our findings demonstrate that RIS predictions based solely on transport coefficients are valid only under symmetric point defect flux conditions, and that biases in defect production and absorption must be considered for accurate predictions. This work provides a mechanistic framework for understanding RIS in ferritic alloys and informs alloy design for advanced nuclear systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1978

Shortcomings in our understanding of the lower ionosphere as revealed by an analysis of radiowave absorption measurements

The present knowledge of ion production and loss processes in the D- and lower E-regions is evaluated with reference to a series of equatorial ground-based radiowave absorption measurements. An equatorial noontime reference electron density profile, corresponding to a nonflaring sun at solar cycle maximum, is derived on the basis of multifrequency absorption and virtual height measurements and data from a rocket-borne investigation. It is found that the Meira (1971) nitric oxide profile does not agree with the Gnanalingan (1974) empirical expression relating absorption to solar flux. Meira's densities below 90 km must be reduced by a factor of about 5 in order to correspond. A wide disparity is observed between the effective recombination coefficient and the average dissociative recombination coefficient for the known ion composition in the lower ionosphere. A study of diurnal variations of radiowave absorption and virtual height shows a great disagreement between calculated and measured values.

Gnanalingam, S.↗
NASA NTRS1960

Modulated Entry

The technique of modulation, or variable coefficients, is discussed and the analytical formulation is reviewed. Representative numerical results of the use of modulation are shown for the lifting and nonlifting cases. These results include the effects of modulation on peak acceleration, entry corridor, and heat absorption. Results are given for entry at satellite speed and escape speed. The indications are that coefficient modulation on a vehicle with good lifting capability offers the possibility of sizable loading reductions or, alternatively, wider corridors; thus, steep entries become practical from the loading standpoint. The amount of steepness depends on the acceptable heating penalty. The price of sizable fractions of the possible gains does not appear to be excessive.

Grant, Frederick C.↗
DOE OSTI2013

Dynamics of thermalization in GaInN/GaN quantum wells grown on ammonothermal GaN

In this work, we present measurements of the dynamics of photoexcited carriers in GaInN/GaN quantum wells (QWs) grown on ammonothermal GaN, especially thermalization and recombination rates. Emission properties were measured by time-resolved photoluminescence (PL) and electroluminescence spectroscopy. Due to the use of high quality homoepitaxial material, we were able to obtain very valuable data on carrier thermalization. The temperature dependence of the QW energy observed in PL shows characteristic S-shape with a step of about 10 meV. Such a behavior (related to thermalization and localization at potential fluctuations) is often reported for QWs; but in our samples, the effect is smaller than in heteroepitaxial InGaN/GaN QWs due to lower potential fluctuation in our material. Absorption properties were studied by photocurrent spectroscopy measurements. A comparison of emission and absorption spectra revealed a shift in energy of about 60 meV. Contrary to PL, the QW energy observed in absorption decreases monotonically with temperature, which can be described by a Bose-like dependence E(T) = E(0) − λ/(exp(θ/T) − 1), with parameters λ = (0.11 ± 0.01) eV, θ = (355 ± 20) K, or by a Varshni dependence with coefficients α = (10 ± 3) × 10{sup −4} eV/K and β = (1500 ± 500) K. Taking into account absorption and emission, the fluctuation amplitude (according to Eliseev theory) was σ = 14 meV. The time resolved PL revealed that in a short period (<1 ns) after excitation, the PL peaks were broadened because of the thermal distribution of carriers. We interpreted this distribution in terms of quasi-temperature (T{sub q}) of the carriers. The initial T{sub q} was of the order of 500 K. The thermalization led to a fast decrease of T{sub q}. The obtained cooling time in the QW was τ{sub C} = 0.3 ns, which was faster than the observed recombination time τ{sub R} = 2.2 ns (at 4 K)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1983

Inference of the aerosol Angstrom coefficient from SAGE short-wavelength data

SAGE four-channel transmission profiles are inverted to retrieve the extinction profiles from which the aerosol Angstrom coefficient alpha is obtained. The procedure allows one to check the influence of the NO2 absorption profile, which is small below 25 km. The results compare well with those obtained by a completely different procedure at NASA Langley Research Center, and the main features of the alpha profiles seem to be significant, even considering the rather large error bars. The relation between the retrieved Angstrom coefficient, the particle effective radius and the asymmetry factor is considered.

Lenoble, J.↗
NASA NTRS1995

Shock Tube and Modeling Study of the H + O2 = OH + O Reaction over a Wide Range of Composition, Pressure, and Temperature

The rate coefficient of the reaction H + 02 = OH + 0 was determined using OH laser absorption spectroscopy behind reflected shock waves over the temperature range 1050-2500 K and the pressure range 0.7-4.0 atm. Eight mixtures and three stoichiometries were used. Two distinct and independent criteria were employed in the evaluation of k(sub 1). Our recommended expression for k(sub 1) is k(sub 1) = 7.13 x 10(exp 13)exp(-6957 K/T) cm(exp 3)mol(exp -1)s(exp -1) with a statistical uncertainty of 6%. A critical review of recent evaluations of k(sub 1) yields a consensus expression given by k(sub 1) = 7.82 x 10(exp 13)exp(-7105 K/7) cm(exp 3)mol(exp -1)s(exp -1) over the temperature range 960-5300 K. We do not support a non-Arrhenius rate coefficient expression, nor do we find evidence of composition dependence upon the determination of k(sub 1).

Ryu, Si-Ok↗
NASA NTRS1975

Infrared forbidden lines in H II regions and planetary nebulae

Emissivity coefficients are calculated as functions of electron density and temperature for the IR forbidden lines between 2 and 300 microns of the elements and ionization stages most abundant in H II regions and planetary nebulae. The effect of self-absorption is investigated, and a method is presented for estimating when self-absorption may be important. The IR line spectrum of the Orion Nebula is predicted using the emissivity coefficients, and ionic abundances are derived for the Ar III, S IV, and Ne II forbidden lines in a number of planetary nebulae. The sulfur abundance and sulfur/oxygen ratio are discussed for H II regions and planetary nebulae. The average sulfur/oxygen ratio is found to be about 0.05 for gaseous nebulae.

Simpson, J. P.↗
DOE OSTI2015

Visible‐Light‐Triggered Molecular Photoswitch Based on Reversible E / Z Isomerization of a 1,2‐Dicyanoethene Derivative

Abstract A designed bis(dithienyl) dicyanoethene‐based, strictly E / Z photoswitch (4TCE) operates through state‐selective ( E and Z isomer) photoactivation with visible light. The E and Z isomers of 4TCE exhibit remarkably different spectroscopic characteristics, including a large separation (70 nm) in their absorption maxima ( λ max ) and a 2.5‐fold increase in molar extinction coefficient from cis to trans . The energetically stable trans form can be completely converted to the cis form within minutes when exposed to white light, whereas the reverse isomerization occurs readily upon irradiation by blue light ( λ <480 nm) or completely by thermal conversion at elevated temperatures. These features together with excellent thermal stability and photostability of both isomers make this new E / Z photoswitch a promising building block for photoswitchable materials that operate without the need for UV light.

Guo, Xin↗
DOE OSTI2015

Visible‐Light‐Triggered Molecular Photoswitch Based on Reversible E / Z Isomerization of a 1,2‐Dicyanoethene Derivative

Abstract A designed bis(dithienyl) dicyanoethene‐based, strictly E / Z photoswitch (4TCE) operates through state‐selective ( E and Z isomer) photoactivation with visible light. The E and Z isomers of 4TCE exhibit remarkably different spectroscopic characteristics, including a large separation (70 nm) in their absorption maxima ( λ max ) and a 2.5‐fold increase in molar extinction coefficient from cis to trans . The energetically stable trans form can be completely converted to the cis form within minutes when exposed to white light, whereas the reverse isomerization occurs readily upon irradiation by blue light ( λ <480 nm) or completely by thermal conversion at elevated temperatures. These features together with excellent thermal stability and photostability of both isomers make this new E / Z photoswitch a promising building block for photoswitchable materials that operate without the need for UV light.

Guo, Xin↗
DOE OSTI2014

Explicit correlation treatment of the potential energy surface of CO{sub 2} dimer

We present an extensive study of the four-dimensional potential energy surface (4D-PES) of the carbon dioxide dimer, (CO{sub 2}){sub 2}. This PES is developed over the set of intermolecular coordinates. The electronic computations are carried out at the explicitly correlated coupled cluster method with single, double, and perturbative triple excitations [CCSD(T)-F12] level of theory in connection with the augmented correlation-consistent aug-cc-pVTZ basis set. An analytic representation of the 4D-PES is derived. Our extensive calculations confirm that “Slipped Parallel” is the most stable form and that the T-shaped structure corresponds to a transition state. Later on, this PES is employed for the calculations of the vibrational energy levels of the dimer. Moreover, the temperature dependence of the dimer second virial coefficient and of the first spectral moment of rototranslational collision-induced absorption spectrum is derived. For both quantities, a good agreement is found between our values and the experimental data for a wide range of temperatures. This attests to the high quality of our PES. Generally, our PES and results can be used for modeling CO{sub 2} supercritical fluidity and examination of its role in planetary atmospheres. It can be also incorporated into dynamical computations of CO{sub 2} capture and sequestration. This allows deep understanding, at the microscopic level, of these processes.

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

Gelatin as a new humidity sensing material: Characterization and limitations

The goal of this work is to assert the utility of collagen and its denatured counterpart gelatin as cost-effective alternatives to existing sensing layers comprised of polymers. Rather than producing a material that will need to be discarded or recycled, collagen, as a by-product of the meat and leather industry, could be repurposed. This work examines the feasibility of using collagen as a sensing layer. Planar electrodes were patterned with lift-off process to work with the natural characteristics of gelatin by utilizing metal vapor deposition, spin coating, and photolithography. Characterization methods have also been optimized through the creation of specialized humidity chambers that isolate specific characteristics such as response time, accuracy, and hysteresis. Collagen-based sensors are found to have a sensitivity to moisture in the range of 0.065 pF/%RH. Diffusion characteristics were also analyzed with the diffusion coefficient found to be 2.5 × 10{sup −5} cm{sup 2}/s. Absorption and desorption times were found to be 20 seconds and 8 seconds, respectively. Hysteresis present in the data is attributed to temperature cross-sensitivity. Ultimately, the utility of collagen as a dielectric sensing material is, in part, due to its fibrous macrostructures as well its hydrophilic sites along the peptide chains. Gelatin was patterned between and below interdigitated copper electrodes and tested as a relative humidity sensor. This work shows that gelatin, which is inexpensive, widely available, and easy to process, can be an effective dielectric sensing polymer for capacitive-type relative humidity sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Photon Upconversion at Organic-Inorganic Interfaces

Photon upconversion is a process that combines low-energy photons to form useful high-energy photons. There are potential applications in photovoltaics, photocatalysis, biological imaging, etc. Semiconductor quantum dots (QDs) are promising for the absorption of these low-energy photons due to the high extinction coefficient of QDs, especially in the near infrared (NIR). This allows the intriguing use of diffuse light sources such as solar irradiation. In this review, we describe the development of this organic-QD upconversion platform based on triplet-triplet annihilation, focusing on the dark exciton in QDs with triplet character. Then we introduce the underlying energy transfer steps, starting from QD triplet photosensitization, triplet exciton transport, triplet-triplet annihilation, and ending with the upconverted emission. Design principles to improve the total upconversion efficiency are presented. We end with limitations in current reports and proposed future directions. This review provides a guide for designing efficient organic-QD upconversion platforms for future applications, including overcoming the Shockley-Queisser limit for more efficient solar energy conversion, NIR-based phototherapy, and diagnostics in vivo.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Ellipsometric study of cubic SiC

Variable angle spectroscopic ellipsometry (VASE) was applied to cubic SiC. This technique gives absolute values of the refractive index (n) and the extinction coefficient (k) of a substrate and/or a thin film of unknown material. The samples were grown by chemical vapor deposition (CVD) on p-type silicon. The substrate was aligned either on the (001) axis or 1 degree of (001). Several growth temperatures and growth durations were used. The samples were divided into two groups: (1) thick films of order 10 microns grown near optimal conditions of temperature, flow, and gas ratio; and (2) thin films of order 100 A grown at various temperatures. The ellipsometric results for samples in group 1 were analyzed using a two-phase model (substrate and ambient). Results show that for wavelengths in the visible, the refractive index of these CVD samples is equal to that reported for single crystal cubic SiC, within the experimental error, which is on the order of 1 percent. However, the extinction coefficient has a relatively large value, even above the band gap. The absorption is sample dependent and has a broad peak in the visible. The results for samples in group 2 were analyzed using a three-phase model (substrate, film, and ambient). The dielectric functions of the film, deducted from the measured n and k, were further analyzed using the effective medium approximation. The results show that the films contain 30 to 40 vol. percent amorphous silicon, i.e., silicon with only short-range order.

Alterovitz, Samuel A.↗
NASA NTRS2011

Chlorophyll-a Algorithms for Oligotrophic Oceans: A Novel Approach Based on Three-Band Reflectance Difference

A new empirical algorithm is proposed to estimate surface chlorophyll-a concentrations (Chl) in the global ocean for Chl less than or equal to 0.25 milligrams per cubic meters (approximately 77% of the global ocean area). The algorithm is based on a color index (CI), defined as the difference between remote sensing reflectance (R(sub rs), sr(sup -1) in the green and a reference formed linearly between R(sub rs) in the blue and red. For low Chl waters, in situ data showed a tighter (and therefore better) relationship between CI and Chl than between traditional band-ratios and Chl, which was further validated using global data collected concurrently by ship-borne and SeaWiFS satellite instruments. Model simulations showed that for low Chl waters, compared with the band-ratio algorithm, the CI-based algorithm (CIA) was more tolerant to changes in chlorophyll-specific backscattering coefficient, and performed similarly for different relative contributions of non-phytoplankton absorption. Simulations using existing atmospheric correction approaches further demonstrated that the CIA was much less sensitive than band-ratio algorithms to various errors induced by instrument noise and imperfect atmospheric correction (including sun glint and whitecap corrections). Image and time-series analyses of SeaWiFS and MODIS/Aqua data also showed improved performance in terms of reduced image noise, more coherent spatial and temporal patterns, and consistency between the two sensors. The reduction in noise and other errors is particularly useful to improve the detection of various ocean features such as eddies. Preliminary tests over MERIS and CZCS data indicate that the new approach should be generally applicable to all existing and future ocean color instruments.

Hu, Chuanmin↗