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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Ozone Pollution, Transport and Variability: Examples from Satellite and In-Situ Observations

Regional and intercontinental transport of ozone has been observed from satellite, aircraft and sounding data. Over the past several years, we have developed new tropospheric ozone retrieval techniques from the TOMS (Total Ozone Mapping Spectrometer) satellite instrument that are of sufficient resolution to follow pollution episodes. The modified-residual technique uses Level 2 total ozone and was used to follow the 1997 fires in the wake of the El-Nino-related fires in southeast Asia and the Indonesian maritime continent. The TOMS-direct method ('TDOT' = TOMS Direct Ozone in the Troposphere) is a newer algorithm that uses TOMS radiances directly to extract tropospheric ozone. Ozonesonde data that have been taken in campaigns (e.g. TRACE-P) and more consistently in the SHADOZ (Southern Hemisphere Additional Ozonesondes) project, reveal layers of pollution traceable with trajectories. Examples will be shown of long-range transport and recirculation over Africa during SAFARI-2000.

Thompson, Anne↗
DOE OSTI2023

Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms

A new algorithm based on a rigorous theorem and quantum data computationally mined from element 118 guarantees automated construction of initial Fermi–Löwdin-Orbital (FLO) starting points for all elements in the Periodic Table. It defines a means for constructing a small library of scalable FLOs for universal use in molecular and solid-state calculations. The method can be systematically improved for greater efficiency and for applications to excited states such as x-ray excitations and optically silent excitations. FLOs were introduced to recast the Perdew–Zunger self-interaction correction (PZSIC) into an explicit unitarily invariant form. The FLOs are generated from a set of N quasi-classical electron positions, referred to as Fermi-Orbital descriptors (FODs), and a set of N-orthonormal single-electron orbitals. FOD positions, when optimized, minimize the PZSIC total energy. However, creating sets of starting FODs that lead to a positive definite Fermi orbital overlap matrix has proven to be challenging for systems composed of open-shell atoms and ions. The proof herein guarantees the existence of a FLOSIC solution and further guarantees that if a solution for N electrons is found, it can be used to generate a minimum of N – 1 and a maximum of 2 N – 2 initial starting points for systems composed of a smaller number of electrons. As a result, applications to heavy and super-heavy atoms are presented. All starting solutions reported here were obtained from a solution for element 118, Oganesson.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

[Limb Scattering Data Analysis]

The primary purpose of this grant was to support analysis of the limb scattering data taken during the 1997 flight of the SOLSE (Shuttle Ozone Limb Sounding Experiment) and LORE (Limb Ozone Retrieval Experiment) instruments. Work was done to assess the performance of the retrieval algorithms for cloudy and clear sky cases in preparation for a poster presentation. The nadir-viewing data were also compared to coincident GOME (Global Ozone Monitoring Experiment) data and to radiative transfer calculations. An algorithm similar to the TOMS (Total Ozone Mapping Spectrometer) ozone retrieval algorithm was developed to infer the ozone column amount from the SOLSE nadir data. Comparison with coincident TOMS ozone column data confirmed that column ozone could be derived successfully from SOLSE nadir radiances, and also revealed significant changes in the SOLSE wavelength resolution and absolute radiometric calibration that were subsequently confirmed by comparing the post-flight instrument characterization to the pre-flight characterization, indicating a potentially useful method for monitoring instrument behavior in-flight.

Loughman, Robert↗
NASA NTRS1993

MAMS: High resolution atmospheric/surface properties

The Multispectral Atmospheric Mapping Sensor (MAMS) has been used for a number of investigations over the last 8 years. It has served as the basis for retrieval technique development, for atmospheric process studies, and to retrieve geophysical parameters at the surface (land and ocean). It was used most recently to collect high resolution visible and infrared imagery for the CaPE and STORMFEST experiments during FY91 and FY92. The Wildfire spectrometer (similar to MAMS but with different infrared channels) was also used during STORMFEST. The goals of MAMS during CaPE were: (1) to collect MAMS data to support the overall CaPE science objectives; (2) refine techniques for the retrieval of atmospheric moisture and surface geophysical parameters; (3) map the moisture distributions associated with the sea breeze front over Florida with MAMS ancillary satellite data on a case study basis; (4) identify surface features which may serve as local sources of heat and moisture and influence preferential convective regions over Florida, and (5) process MAMS data and derived relevant geophysical parameters to support other CaPE investigators. For STORMFEST both the MAMS and Wildfire spectrometers were used to collect unique multispectral data to study atmospheric processes. The Wildfire objectives were: (1) to collect high quality Wildfire data in conjunction with other in situ and remote measurements available during the STORMFEST field phase (1 February - 15 March 1992); (2) to develop algorithms to retrieve total ozone content and compare with those from TOMS and HIRS (IR); and (3) along with water vapor imagery, use the ozone data to better understand the 3-dimensional structure and dynamics of jet streaks and frontal systems in a case study investigation. The MAMS objectives were: (1) collect MAMS data to support a GSFC investigation of gravity waves; and (2) process the MAMS data to locate gravity wave features, and produce various moisture products in support of the gravity wave investigation. The research activities over the last year are presented and they focused on analyzing the CaPE data sets and collecting and starting preliminary analysis of the STORMFEST MAMS and Wildfire data.

Jedlovec, Gary J.↗
NASA NTRS1994

SeaWiFS technical report series. Volume 13: Case studies for SeaWiFS calibration and validation, part 1

Although the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) Calibration and Validation Program relies on the scientific community for the collection of bio-optical and atmospheric correction data as well as for algorithm development, it does have the responsibility for evaluating and comparing the algorithms and for ensuring that the algorithms are properly implemented within the SeaWiFS Data Processing System. This report consists of a series of sensitivity and algorithm (bio-optical, atmospheric correction, and quality control) studies based on Coastal Zone Color Scanner (CZCS) and historical ancillary data undertaken to assist in the development of SeaWiFS specific applications needed for the proper execution of that responsibility. The topics presented are as follows: (1) CZCS bio-optical algorithm comparison, (2) SeaWiFS ozone data analysis study, (3) SeaWiFS pressure and oxygen absorption study, (4) pixel-by-pixel pressure and ozone correction study for ocean color imagery, (5) CZCS overlapping scenes study, (6) a comparison of CZCS and in situ pigment concentrations in the Southern Ocean, (7) the generation of ancillary data climatologies, (8) CZCS sensor ringing mask comparison, and (9) sun glint flag sensitivity study.

Hooker, Stanford B.↗
NASA NTRS2013

Application of OMI, SCIAMACHY and GOME-2 Satellite SO2 Retrievals for Detection of Large Emission Sources

Retrievals of sulfur dioxide (SO2) from space-based spectrometers are in a relatively early stage of development. Factors such as interference between ozone and SO2 in the retrieval algorithms often lead to errors in the retrieved values. Measurements from the Ozone Monitoring Instrument (OMI), Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY), and Global Ozone Monitoring Experiment-2 (GOME-2) satellite sensors, averaged over a period of several years, were used to identify locations with elevated SO2 values and estimate their emission levels. About 30 such locations, detectable by all three sensors and linked to volcanic and anthropogenic sources, were found after applying low and high spatial frequency filtration designed to reduce noise and bias and to enhance weak signals to SO2 data from each instrument. Quantitatively, the mean amount of SO2 in the vicinity of the sources, estimated from the three instruments, is in general agreement. However, its better spatial resolution makes it possible for OMI to detect smaller sources and with additional detail as compared to the other two instruments. Over some regions of China, SCIAMACHY and GOME-2 data show mean SO2 values that are almost 1.5 times higher than those from OMI, but the suggested spatial filtration technique largely reconciles these differences.

SO2 retrievals↗
NASA NTRS1996

GOME Calibration and Validation Using Backscatter UV Techniques

GOME radiance, irradiance, and ozone products were validated by NASA Goddard Space Flight Center through three tasks which included, pre-launch calibration comparisons with SBUV and TOMS radiometric standards, validation of GOME Level-1 irradiance and radiance and Level 2 total ozone data products using SBUV/2 and TOMS algorithms and data, and studies of GOME data using the Goddard radiative transfer code. The prelaunch calibration using the NASA large aperture integrating sphere was checked against that provided by TPD. Agreement in the calibration constants, derived in air, between the Goddard and TPD system were better than 3%. Validation of Level-1 irradiance data included comparison of GOME and SSBUV and the UARS solar irradiances measurements. Large wavelength dependent differences, as high as 10%, were noted between GOME and the US instruments. This discrepancy has now been attributed to radiometric sensitivity changes experienced by GOME when operating in a vacuum. GOME Earth radiance data were then compared to the NOAA-14 SBUV/2 radiances. These results show that between 340 and 400 nm the differences in GOME and SBUV/2 data are less than 5% with some wavelength dependence. At wavelengths shorter than 300 nm, differences are of the order of 10% or more where the GOME radiances are larger. To test GOME DOAS retrieved total ozone values, these values were compared with ozone amounts retrieved using GOME radiances in the TOMS version-7 algorithm. The differences showed a solar zenith angle dependence ranging from 0 to 10% where the TOMS algorithm values were higher. GOME radiances below 300 nm were further validated by selecting radiances at wavelengths normally used by SBUV and processing them through the SBUV ozone profile algorithm and then compared to climatological values. The GOME ozone profiles ranged from 10-30% lower over altitude compared to climatological values. This is consistent with the offsets detected in the SBUV/2 radiance comparisons at wavelengths shorter than 300 nm.

Hilsenrath, E.↗
NASA NTRS1996

Nimbus-7 Total Ozone Mapping Spectrometer (TOMS) Data Products User's Guide

Two data products from the Total Ozone Mapping Spectrometer (TOMS) onboard Nimbus-7 have been archived at the Distributed Active Archive Center, in the form of Hierarchical Data Format files. The instrument measures backscattered Earth radiance and incoming solar irradiance; their ratio is used in ozone retrievals. Changes in the instrument sensitivity are monitored by a spectral discrimination technique using measurements of the intrinsically stable wavelength dependence of derived surface reflectivity. The algorithm to retrieve total column ozone compares measured Earth radiances at sets of three wavelengths with radiances calculated for different total ozone values, solar zenith angles, and optical paths. The initial error in the absolute scale for TOMS total ozone is 3 percent, the one standard deviation random error is 2 percent, and drift is less than 1.0 percent per decade. The Level-2 product contains the measured radiances, the derived total ozone amount, and reflectivity information for each scan position. The Level-3 product contains daily total ozone amount and reflectivity in a I - degree latitude by 1.25 degrees longitude grid. The Level-3 product also is available on CD-ROM. Detailed descriptions of both HDF data files and the CD-ROM product are provided.

McPeters, Richard D.↗
NASA NTRS1994

Direct measurements of tropospheric ozone using TOMS data

Fishman and Larsen have proposed a new algorithm, called 'tropospheric residual method,' which retrieves the climatological tropospheric ozone by using SAGE (Stratospheric Aerosol and Gas Experiment) and TOMS (Total Ozone Mapping Spectrometer) data. In this paper, we will examine the feasibility of detection for tropospheric ozone using only TOMS data. From a case study over the Atlantic Ocean off the coast of west Africa, it has been found that total ozone in the archived TOMS data has been overestimated over a region of marine-stratocumulus clouds.

Hudson, Robert D.↗
NASA NTRS1998

ADEOS Total Ozone Mapping Spectrometer (TOMS) Data Products User's Guide

Two data products from the Total Ozone Mapping Spectrometer (ADEOS/TOMS) have been archived at the Distributed Active Archive Center, in the form of Hierarchical Data Format files. The ADEOS/ TOMS began taking measurements on September 11, 1996, and ended on June 29, 1997. The instrument measured backscattered Earth radiance and incoming solar irradiance; their ratio was used in ozone retrievals. Changes in the reflectivity of the solar diffuser used for the irradiance measurement were monitored using a carousel of three diffusers, each exposed to the degrading effects of solar irradiation at different rates. The algorithm to retrieve total column ozone compares measured Earth radiances at sets of three wavelengths with radiances calculated for different total ozone values, solar zenith angles, and optical paths. The initial error in the absolute scale for TOMS total ozone is 3 percent, the one standard deviation random error is 2 percent, and the drift is less than 0.5 percent over the 9-month data record. The Level 2 product contains the measured radiances, the derived total ozone amount, and reflectivity information for each scan position. The Level 3 product contains daily total ozone and reflectivity in a 1-degree latitude by 1.25 degrees longitude grid. The Level 3 files containing estimates of UVB at the Earth surface and tropospheric aerosol information will also be available. Detailed descriptions of both HDF data files and the CDROM product are provided.

Krueger, A.↗
NASA NTRS1998

Earth Probe Total Ozone Mapping Spectrometer (TOMS) Data Product User's Guide

Two data products from the Earth Probe Total Ozone Mapping Spectrometer (EP/TOMS) have been archived at the Distributed Active Archive Center, in the form of Hierarchical Data Format files. The EP/ TOMS began taking measurements on July 15, 1996. The instrument measures backscattered Earth radiance and incoming solar irradiance; their ratio is used in ozone retrievals. Changes in the reflectivity of the solar diffuser used for the irradiance measurement are monitored using a carousel of three diffusers, each exposed to the degrading effects of solar irradiation at different rates. The algorithm to retrieve total column ozone compares measured Earth radiances at sets of three wavelengths with radiances calculated for different total ozone values. The initial error in the absolute scale for TOMS total ozone is 3 percent, the one standard deviation random error is 2 percent, and the drift is less than 0.5 percent over the first year of data. The Level-2 product contains the measured radiances, the derived total ozone amount, and reflectivity information for each scan position. The Level-3 product contains daily total ozone and reflectivity in a 1-degree latitude by 1.25 degrees longitude grid. Level-3 files containing estimates of LTVB at the Earth surface and tropospheric aerosol information are also available, Detailed descriptions of both HDF data-files and the CD-ROM product are provided.

McPeters, R.↗
NASA NTRS2004

Tropical Tropospheric Ozone Climatology: Approaches Based on SHADOZ Observations

The SHADOZ (Southern Hemisphere Additional Ozonesondes) ozone sounding network was initiated in 1998 to improve the coverage of tropical in-situ ozone measurements for satellite validation, algorithm development and related process studies. Over 2000 soundings have been archived at the central website, , for 12 stations that span the entire equatorial zone [Thompson et al., JGR, 108,8238, 2003]. The most striking features of tropospheric ozone profiles in SHADOZ are: (1) persistent longitudinal variability in tropospheric ozone profiles, with a 10-15 DU column-integrated difference between Atlantic and Pacific sites; (2) intense short-term variability triggered by changing meteorological conditions and advection of pollution. The implications of these results for profile climatologies and trends are described along with several approaches to classifying ozone profiles: 1) Seasonal means during MAM (March-April-May) and SON (September-October-November); 2) Maxima and minima, identified through correlation of TOMS-derived TTO (tropical tropospheric ozone) column depth with the sonde integrated tropospheric ozone column; and 3) Meteorological regimes, a technique that is effective in the subtropics where tropical and mid-latitude conditions alternate.

Thompson, Anne M.↗
NASA NTRS2008

SAUNA Ozone Profile Comparison: SBUV/2 and MLS versus Sondes and Lidar

The Sodankyla Total Column Ozone Intercomparison (SAUNA) was held in Sodankyla, Finland in March-April 2006 and February-March 2007 in support of Aura validation. The purpose of SAUNA was to assess the comparative performance of the ground-based instruments and algorithms when measuring total column ozone at large solar zenith angles and high total column ozone amounts. Results showed that the ozone profiles from the satellite instruments (MLS on Aura and SBUV/2 on NOAA 16) generally agreed with profiles from the ground-based instruments (lidar and sondes) within 10%. The largest differences were seen in the profile below 20 km, consistent with our conclusion that spatial variability in the lower stratosphere and upper troposphere is a significant source of disagreement in these comparisons. The total column ozone comparison shows that SBUV/2 and OMI agree well with the double Brewer instruments provided the scenes are carefully matched.

McPeters, R. D.↗
NASA NTRS2006

Observations over Hurricanes from the Ozone Monitoring Instrument

There is an apparent inconsistency between the total column ozone derived from the total ozone mapping spectrometer (TOMS) and aircraft observations within the eye region of tropical cyclones. The higher spectral resolution, coverage, and sampling of the ozone monitoring instrument (OMI) on NASA s Aura satellite as compared with TOMS allows for improved ozone retrievals by including estimates of cloud pressure derived simultaneously using the effects of rotational Raman scattering. The retrieved cloud pressures from OM1 are more appropriate than the climatological cloud-top pressures based on infrared measurements used in the TOMS and initial OM1 algorithms. We find that total ozone within the eye of hurricane Katrina is significantly overestimated when we use climatological cloud pressures. Using OMI-retrieved cloud pressures, total ozone in the eye is similar to that in the surrounding area. The corrected total ozone is in better agreement with aircraft measurements that imply relatively small or negligible amounts of stratospheric intrusion into the eye region of tropical cyclones.

Joiner, J.↗
NASA NTRS2006

Exploration of OMI Products for Air Quality Applications Through Comparisons with Models and Observations

The Ozone Monitoring Instrument (OMI) on board NASA s Aura satellite was launched in July 2004, and is now providing daily global observations of total column ozone, NO2, and SO2, as well as aerosol information. Algorithms have also been developed to produce daily tropospheric ozone and NO2 products. The tropospheric ozone product reported here is a tropospheric residual computed through use of Aura Microwave Limb Sounder (MLS) ozone profile data to quantify stratospheric ozone. We are investigating the applicability of OMI products for use in air quality modeling, forecasting, and analysis. These investigations include comparison of the OMI tropospheric O3 and NO2 products with global and regional models and with lower tropospheric aircraft observations. Large-scale transport of pollution seen in the OM1 tropospheric O3 data is compared with output from NASA's Global Modeling Initiative global chemistry and transport model. On the regional scale we compare the OMI tropospheric O3 and NO2 with fields from the National Oceanic and Atmospheric Administration and Environmental Protection Agency (NOAA/EPA) operational Eta/CMAQ air quality forecasting model over the eastern United States. This 12-km horizontal resolution model output is roughly of equivalent resolution to the OMI pixel data. Correlation analysis between lower tropospheric aircraft O3 profile data taken by the University of Maryland over the Mid-Atlantic States and OMI tropospheric column mean volume mixing ratio for O3 will be presented. These aircraft data are representative of the lowest 3 kilometers of the atmosphere, the region in which much of the locally-generated and regionally-transported ozone exists.

Pickering, K. E.↗
NASA NTRS2004

Optimal Aerosol Parameterization for Remote Sensing Retrievals

We have developed a new algorithm for the retrieval of aerosol and gases from SAGE It1 solar transmission measurements. This algorithm improves upon the NASA operational algorithm in several key aspects, including solving the problem non-linearly and incorporating a new methodology for separating the contribution of aerosols and gases. In order to extract aerosol information we have built a huge database of aerosol models for both stratospheric and tropospheric aerosols, and polar stratospheric cloud particles. This set of models allows us to calculate a vast range of possible extinction spectra for aerosols. and from these, derive a set of eigenvectors which then provide the basis set used in our inversion algorithm. Our aerosol algorithm and retrievals are described in several articles (listed in References Section) published under this grant. In particular they allow us to analyze the spectral properties of aerosols and PSCs and ultimately derive their microphysical properties. We have found some considerable differences between our spectra and the ones derived from the SAGE III operational algorithm. These are interesting as they provide an independent check on the validity of published aerosol data and, in particular, on their associated uncertainties. In order to understand these differences, we are assembling independent aerosol data from other sources with which to make comparisons. We have carried out extensive comparisons of our ozone retrievals with both SAGE III and independent lidar, ozonesonde, and satellite measurements (Polyakov et al., 2004). These show very good agreement throughout the stratosphere and help to quantify differences which can be attributed to natural variation in ozone versus that produced by algorithmic differences. In the mid - upper stratosphere, agreement with independent data was generally within 5 - 20%. but in the lower stratosphere the differences were considerably larger. We believe that a large proportion of this discrepancy in the lower stratosphere is attributable to natural variation, and is also seen in comparisons between lidar and ozonesonde measurements. NO2 profiles obtained with our algorithm were compared to those obtained through the SAGE III operational algorithm and exhibited differences of 20 - 40%. Our retrieved profiles agree with the HALOE NO2 measurements significantly better than those of the operational retrieval. In other work (described below), we are extending our aerosol retrievals into the infrared regime and plan to perform retrievals from combined uv-visible-infrared spectra. This work will allow us to use the spectra to derive the size and composition of aerosols, and we plan to employ our algorithms in the analysis of PSC spectra. We are presently also developing a limb-scattering algorithm to retrieve aerosol data from limb measurements of solar scattered radiation.

Newchurch, Michael J.↗
NASA NTRS2004

Variability in Tropical Tropospheric Ozone as Observed by SHADOZ

The SHADOZ (Southern Hemisphere Additional Ozonesondes) ozone sounding network was initiated in 1998 to improve the coverage of tropical in-situ ozone measurements for satellite validation, algorithm development and related process studies. Over 2000 soundings have been archived at the central website, , for 12 stations: Ascension Island; Nairobi and Malindi, Kenya; Irene, South Africa; Reunion Island; Watukosek, Java; Fiji; Tahiti; American Samoa; San Cristobal, Galapagos; Natal, Brazil; Paramaribo, Surinam. Some results to date indicate reliability of the measurement and highly variable interactions between ozone and tropical meteorology. For example: 1. By using ECC sondes with similar procedures, 5-10% accuracy and precision (1-sigma) of the sonde total ozone measurement was achieved [Thompson et al., 2003al; 2. Week-to-week variability in tropospheric ozone is so great that statistics are frequently not Gaussian and most stations vary up to a factor of 3 in column amount over the course of a year [Thompson et al., 2002b]. 3. Longitudinal variability in tropospheric ozone profiles is a consistent feature, with a 10- 15 DU column-integrated difference between Atlantic and Pacific sites; this is the cause of the zonal wave-one feature in total ozone [Shiotani, 1992]. The ozone record from Paramaribo, Surinam (6N, 55W) is a marked contrast to southern tropical ozone because Surinam is often north of the Intertropical Convergence Zone. Interpretations of SHADOZ time-series and approaches to classification suggested by SHADOZ data over Africa and the Indian Ocean will be described.

Thompson, Anne M.↗
NASA NTRS2008

OMI Validation from the SAUNA and ARCTAS Campaigns

Initial results are presented on Ozone Monitoring Instrumnet (OMI) validation from the Sodankyla Total Column Ozone Intercomparison (SAUNA) and from the Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) campaign. SAUNA was held in Sodankyla, Finland in March-April 2006 and February-March 2007 in support of Aura validation. The purpose of SAUNA was to assess the comparative performance of the ground-based instruments and algorithms when measuring total column ozone at large solar zenith angles and high total column ozone amounts. Results showed that the ozone profiles from the satellite instruments (MLS on Aura and SBUV/2 on NOAA 16) generally agreed with profiles from the ground-based instruments (lidar and sondes) within 10%. The ARCTAS spring campaign was flown out of Fairbanks, Alaska, from, April 1 - April 19, 2008. The purpose of ARCTAS was to study arctic haze and pollution sources in the arctic, but also to provide validation of CALIPSO and Aura. The differences between the OMI OMTO3 ozone retrieval and the DOAS ozone are examined.

McPeters, R. D.↗