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Latest Development in Radiative Transfer Models and Retrieval Algorithms Using Principal Components

The radiative transfer model (RTMs) has a wide range of applications in satellite remote sensing and atmospheric radiation applications. However, millions of line-by-line (LBL) radiative transfer calculations at fine monochromatic frequencies are needed in order to properly calculate spectral contributions of water vapor and trace gases in the atmosphere in infrared and solar spectral regions. Therefore, fast and accurate RTMs are needed to efficiently process large amount of satellite data. A Principal Component-based Radiative Transfer Model (PCRTM) was first developed in 2004 at NASA Langley Research Centre to fulfil this need. By using PC-compression, one can reduce the data dimension significantly while maintaining original information content. The PCRTM can directly compute PC-scores and their derivatives with respect to retrieved parameters. The PCRTM can simulate the top-of-atmosphere (TOA) radiance or reflectance spectra from 0.250 µm (400000 cm-1) to 2000 µm (50 cm-1) with several orders of magnitude faster speed as compared to a LBL RTM. It is also extremely accurate compared to LBL RTM benchmarks (0.03 K RMS error in IR and 0.05% in solar). The PCRTM model has been developed for hyperspectral sensors such as AIRS, CrIS, IASI, NAST-I, SHIS, FIRST, and CLARREO-IR in thermal IR spectral region and CLARREO-Solar, CPF, TEMPO, EMIT, OMI, and SCIAMACHY in solar spectral region. The PCRTM accuracy has been demonstrated via RTM intercomparisons and with real satellite observations from AIRS, CrIS, IASI, SCHIAMACHY, and EMIT etc. In this presentation, we will describe two PCRTM-based inversion algorithms to retrieve atmospheric temperature, water vapor, and trace gas profiles, as well as cloud and surface properties from hyperspectral sounders such as AIRS, CrIS, IASI, and NAST-I. The first one is called Single Fieldof-view Sounder Atmospheric Product (SiFSAP) algorithm. It provides L2 products with 9-times higher area spatial resolution as compared to current cloud-clearing sounder algorithms. The SiFSAP L2 and L3 products are available at NASA's Goddard Earth Sciences Data and Information Services Center (GES DISC) for public access. The second inversion algorithm is called Climate Fingerprinting Atmospheric Product (ClimFiSP) algorithm. It is designed to produce high quality climate products (trends, anomalies, daily, and monthly profiles of temperature, water vapor, traces, clouds, and surface properties) from multiple satellite sensors such AIRS on Aqua and CrIS on multiple satellites. This product will be available at NASA GES DISC later this year. The PCRTMbased high fidelity simulators for CLARREO and CPF have been used for sensor performance trade studies, algorithm development, and inter-satellite calibrations. We have also used PCRTM generated TOA radiance spectra to train an AI-based algorithm and successfully retrieved cloud properties from EMIT solar hyperspectral imagers.

PCRTM↗

Spatial Variability of Trace Gases During DISCOVER-AQ: Planning for Geostationary Observations of Atmospheric Composition

Results from an in-depth analysis of trace gas variability in MD indicated that the variability in this region was large enough to be observable by a TEMPO-like instrument. The variability observed in MD is relatively similar to the other three campaigns with a few exceptions: CO variability in CA was much higher than in the other regions; HCHO variability in CA and CO was much lower; MD showed the lowest variability in NO2All model simulations do a reasonable job simulating O3 variability. For CO, the CACO simulations largely under over estimate the variability in the observations. The variability in HCHO is underestimated for every campaign. NO2 variability is slightly overestimated in MD, more so in CO. The TX simulation underestimates the variability in each trace gas. This is most likely due to missing emissions sources (C. Loughner, manuscript in preparation).Future Work: Where reasonable, we will use these model outputs to further explore the resolvability from space of these key trace gases using analyses of tropospheric column amounts relative to satellite precision requirements, similar to Follette-Cook et al. (2015).

trace gas↗

A Safety-Driven Approach to Exploring and Comparing Air Traffic Management Concepts for Enabling Urban Air Mobility

There is broad recognition that the high tempo and density of Urban Air Mobility (UAM) operations will require identifying new Air Traffic Management (ATM) concepts to safely integrate UAM air traffic into the airspace alongside existing air traffic. However, the simulation models used to compare ATM concepts today are difficult to apply during the early stages of concept development and do not offer enough support in identifying potential new concepts. In addition, they have limited ability to evaluate ATM concepts in terms of safety, security, and other key emergent properties. Instead of using simulation to evaluate ATM concepts, this paper demonstrates how a safety-driven systems engineering approach based on Systems-Theoretic Accident Model and Processes (STAMP) can be used to design properties such as safety into an ATM system from the earliest stages of development. Using a hazard analysis technique called Systems-Theoretic Process Analysis (STPA), system requirements and the desired ATM behavior are derived. As an example, two possible ATM concepts to implement that behavior are compared to identify their safety-related benefits and tradeoffs. This new approach enables (1) systematic exploration of alternative ATM concepts and (2) identification of the safety-related tradeoffs between concepts as early as possible in the development process.

system safety↗

Use of TEMPO as a Proxy for Hyperspectral Geostationary Ocean Color Measurements from the GeoXO OCX Instrument: Harnessing Machine Learning and Principal Component Techniques for Atmospheric and Glint Correction

Retrievals of ocean color from space are important for better understanding the ocean ecosystem. The launch of atmospheric geostationary hyperspectral sensors such as TEMPO, provides a unique opportunity to examine the diurnal variability in ocean ecology. While TEMPO does not have as high spatial resolution or full spectral coverage as planned coastal ocean sensors such as the Geosynchronous Littoral Imaging and Monitoring Radiometer (GLIMR) or GeoXO Ocean Color instrument (OCX), its hourly measurements provide coverage of regions such as Lake Erie and the Gulf of Mexico at spatial scales of approximately 5 km. These data can be useful for testing new algorithms. We will apply our newly developed machine learning based atmospheric correction approach for ocean color retrievals to TEMPO data. Our approach begins by decomposing measured radiances from hyperspectral sensors into spectral features that describe the scattering and absorption of the atmosphere as well as the underlying surface reflectance. The coefficients of the principal components are then used to train a neural network to predict ocean color properties derived from collocated MODIS/VIIRS physically-based retrievals. This machine learning approach does not rely on radiative transfer modeling, and the use of MODIS/VIIRS data for training accounts for possible calibration b in hyperspectral data. Previously, we applied our approach using blue and UV wavelengths with the Ozone Monitoring Instrument (OMI) and TROPOspheric Monitoring Instrument (TROPOMI) to show that it can estimate ocean color properties in less-than-ideal conditions such as lightly to moderately clouded conditions as well as sun glint and thus improve the spatial coverage of ocean color measurements. TEMPO provides an opportunity to improve on this approach since it will provide collocated measurements at green and red wavelengths that were not available from OMI and TROPOMI and are important particularly for coastal waters. Additionally, our technique can be applied early in the mission and has potential to demonstrate the value of near real time ocean color products that are important for monitoring of harmful algae blooms and other oceanic phenomena.

Zachary Fasnacht↗

Synergistic TEMPO Air Quality Science (STAQS)

In June-August 2023, STAQS seeks to integrate TEMPO satellite observations with traditional air quality monitoring to improve understanding of air quality science and increase societal benefit. Study philosophy: - Build an integrated observing system consisting of ground-, airborne-, and satellite-based platforms and air quality models. - Prioritize repeated systematic sampling in a predefined domain during morning, midday, and afternoon times over at least 4 days in each primary target areas. - Assemble a collaborative research team through leveraging multiple activities occurring in summer 2023 with federal and academic partners.

Laura Margaret Judd↗

Different Kinetic Reactivities of Electrons in Distinct TiO 2 Nanoparticle Trap States

Electrons added to TiO 2 and other semiconductors often occupy trap states, whose reactivity can determine the catalytic and stoichiometric chemistry of the material. We previously showed that reduced aqueous colloidal TiO 2 nanoparticles have two distinct classes of thermally equilibrated trapped electrons, termed Red/e – and Blue/e – . Presented here are parallel optical and electron paramagnetic resonance (EPR) kinetic studies of the reactivity of these electrons with solution-based oxidants. Optical stopped-flow measurements monitoring the reactions of TiO 2 /e – with substoichiometric oxidants showed a surprising pattern: an initial fast (seconds) decrease in TiO 2 /e – absorbance followed by a secondary, slow (minutes) increase in the broad TiO 2 /e – optical feature. The analysis revealed that the fast decrease is due to the preferential oxidation of the Red/e – trap states and the slow increase results from the re-equilibration of electrons from Blue/e - to Red/e - states. This kinetic model was confirmed by freeze-quench EPR measurements. Quantitative analysis of the kinetic data demonstrated that Red/e – react ~5 times faster than Blue/e – with the nitroxyl radical oxidant 4-methoxy-2,2,6,6-tetramethyl-1-piperidinyloxyl (4-MeO-TEMPO). Similar reactivity patterns were also observed in oxidations of TiO 2 /e – by O 2 , which like 4-MeO-TEMPO is a proton-coupled electron transfer (PCET) oxidant, and by the pure electron transfer (ET) oxidant potassium triiodide (KI 3 ). Furthermore, this suggests that the faster intrinsic reactivity of one trap state over another on the seconds–minutes time scale is likely a general feature of reduced TiO 2 reactivity. This differential trap-state reactivity is likely to influence the performance of TiO 2 in photochemical/electrochemical devices, and it suggests an opportunity for tuning catalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CNS Simulation Tool Development for Increasingly Complex Airspace Operation Evaluation

As unmanned aircraft operations continue to grow and new vehicles such as air taxi, supersonic aircraft and high-altitude long endurance aircraft seek access to the airspace, it is anticipated that National Airspace System (NAS) operations will increase in density and complexity. To manage the influx, demand and safe integration of these new aircraft and missions into the NAS, a careful evaluation of existing and new operational concepts, vehicle characteristics and technology performance is required. Communications, Navigation and Surveillance (CNS) technologies operating in the NAS have evolved to meet changing needs of the Air Traffic Control System and the vehicles operating in the airspace. Today's CNS systems have been architected to deliver critical services to a carefully designed airspace configuration and to serve airborne vehicles equipped with standardized systems that enable global air navigation. The introduction of new vehicles is projected to expand NAS operations beyond today's configuration to include a new breed of aircraft operating from non-conventional aerodromes, resulting in a mix of vehicles operating in the same airspace. To enable this expansion, it is anticipated that modeling and simulation will play an important role in the evaluation of new management concept of operations.In this regard, NASA is developing simulation capabilities that will enable the evaluation of new concepts of operation and CNS technology performance in an increasingly dense, high-tempo operational environment. The NASA Glenn Research Center is working on the development of CNS simulation capabilities intended to support the integrated evaluation of operational concepts and emerging technologies. This presentation describes simulation capability development efforts that, together with other simulation tools, will enable evaluation of new concepts and technologies for the integration of new vehicles and services into the NAS. [Also discussed: NASA Shadow Mode Assessment using Realistic Technologies for the National Airspace System (SMART NAS)]

Surveillance↗

Concurrent Runtime Verification of Data Rich Events

This paper presents the open source runtime verification tool MESA (MEssage-based System Analysis), implemented in Scala, which supports concurrent monitors using the Actor model. Furthermore, the tool supports indexing (slicing) on the data values occurring in data-carrying events, for each individual monitor. The tool is generic in the sense that any monitoring system can be used for creating monitors. In this paper, we use the internal Scala DSL Daut for programming such in data parameterized state machines and temporal logic. To illustrate MESA/Daut, we present a case study that monitors flights from live U.S. airspace data streams, verifying that they conform to planned routes. With base in the case study, we then perform an extensive empirical study of the potential benefits from monitoring slices of a single property in concurrently executing actors. Due to the overhead of scheduling “small” actors (one for each slice or a small number of slices), it is not obvious that concurrent execution of such is beneficial. However, as a main result, we demonstrate that concurrent monitoring of slices to handle data-carrying events can provide considerable speed gains.

finite state machines↗

An Integrated Model of Models for Global Flood Alerting

A dramatic increase in frequency of minor to major flooding since 2000 has caused significant damage to infrastructure and economic losses across the world. To mitigate and recover from these losses, actions have been taken to build resilient communities and infrastructures. Situational awareness in near real-time is essential to ensure community resilience and enhance response and recovery efforts. Several hydrologic and hydraulic flood models are available at various spatial and temporal resolutions at regional to global scale. Given the global coverage of two operational flood models - GloFAS (Global Flood Awareness System) and GFMS (Global Flood Monitoring System), the first component of this project first focuses on integrating the outputs from these two models to classify flood severity and send alerts based on potential for impacts similar to the USGS PAGER (used for severity alerting and impact analysis for earthquakes). The second component of the project focuses on using flood outputs derived from earth observation data to validate, update and add additional exposure and impact products to flood alerts. The flood impacts and severity information will be disseminated as alerts and maps through the DisasterAWARE platform, operated by the Pacific Disaster Center (PDC), that provides global multi-hazard alerting and Situational Awareness information to the emergency management community and public. In this presentation, the following objectives will be covered: (i) the effective integration of the flood models, (ii) accuracy of the flood model outputs (flood extent and depth) for specific flood events both in the United States and globally in comparison with each other and earth observation data.

Glasscoe, Margaret↗

The Accuracy of Radio Interferometric Measurements of Earth Rotation

The accuracy of very long base interferometry earth rotation (UT1) measurements is examined by intercomparing TEMPO and POLARIS data for 1982 and the first half of 1983. None of these data are simultaneous, and so a proper intercomparison requires accounting for the scatter introduced by the rapid, unpredictable, UT1 variations driven by exchanges of angular momentum with the atmosphere. A statistical model of these variations, based on meteorological estimates of the Atmospheric Angular Momentum is derived, and the optimal linear (Kalman) smoother for this model is constructed. The scatter between smoothed and independent raw data is consistent with the residual formal errors, which do not depend upon the actual scatter of the UT1 data. This represents the first time that an accurate prediction of the scatter between UT1 data sets were possible.

Eubanks, T. M.↗

Prospecting for Polar Volatiles: Results from the Resolve Field

Both the Moon and Mercury evidently host ice and other volatile compounds in cold traps at the planets poles. Determining the form, spatial distribution, and abundance of these volatiles at the lunar poles can help us understand how and when they were delivered and emplaced. This bears directly on the delivery of water and prebiotic compounds to the inner planets over the solar system s history, and also informs plans for utilizing the volatiles as resources for sustained human exploration as well as the commercial development of space. Temperature models and orbital data suggest near-surface volatile concentrations may exist at polar locations not strictly in permanent shadow. Remote operation of a robotic lunar rover mission for the 7-10 days of available sunlight would permit key questions to be answered. But such a short, quick-tempo mission has unique challenges and requires a new concept of operations. Both science and rover operations decisionmaking must be done in real time, requiring immediate situational awareness, data analysis, and decision support tools.

Elphic, Richard C.↗

Earth Rotation Parameters from DSN VLBI: 1993

This year we have introduced several modeling improvements, including estimating a parametric model for the mearly-diurnal and nearly-semidiurnal tidal frequency variations of UTI and polar motion, and estimating site velocities.

earth rotation DSN VLBI IERS TEMPO↗

Tropospheric Ozone in the NASA GEOS Model: Effects of Satellite NO2 Data Assimilation and Improvements in Background NOx Chemistry

Tropospheric ozone is a major atmospheric oxidant, the primary source of the hydroxyl radical, and a greenhouse gas. In the troposphere, it is produced from the oxidation of carbon monoxide and volatile organic compounds in the presence of nitrogen oxides (NOx=NO+NO2) or has its origins in the stratosphere. The tropospheric ozone burdens in global atmospheric chemistry models disagree by a factor of 1.5, indicating an incomplete understanding of ozone sources and sinks. Here we examine the tropospheric ozone simulation in NASA Global Modeling and Assimilation Office’s (GMAO’s) GEOS model with the GEOS-Chem chemistry mechanism (version 14.2), using observations from satellites, aircraft, ozonesondes, and surface sites. This modeling framework is used to produce GMAO’s GEOS Composition Forecasts (GEOS-CF), and it has been updated extensively with new emission inventories, improved model physics, satellite data assimilation capability, and an up-to-date chemical mechanism that includes tropospheric halogen chemistry and NOx recycling from particulate nitrate. Earlier versions of the model using GEOS-Chem version 12.0 showed an underestimate in tropospheric ozone in the northern hemisphere. We evaluate the ozone simulation in the updated model, focusing on the effects of assimilating satellite NO2 data from the Ozone Monitoring Instrument (OMI), constraining stratospheric ozone to satellite data, and updates to the NOx chemistry. We will examine changes in the vertical profiles of tropospheric ozone over the US in support of the Tropospheric Emissions: Monitoring of Pollution (TEMPO), and discuss implications for the tropospheric ozone budget.

V. Shah↗

Tropospheric Ozone in the NASA GEOS Model: Effects of Satellite Data Assimilation and Improvements in Background NO x Chemistry

Tropospheric ozone is a major atmospheric oxidant, the primary source of the hydroxyl radical, and a greenhouse gas. In the troposphere, it is produced from the oxidation of carbon monoxide and volatile organic compounds in the presence of nitrogen oxides (NO x =NO+NO 2 ) or has its origins in the stratosphere. The tropospheric ozone burdens in global atmospheric chemistry models disagree by a factor of 1.5, indicating an incomplete understanding of ozone sources and sinks. Here we examine the tropospheric ozone simulation in NASA Global Modeling and Assimilation Office’s (GMAO’s) GEOS model with the GEOS-Chem chemistry mechanism (version 14.2), using observations from satellites, aircraft, ozonesondes, and surface sites. This modeling framework is used to produce GMAO’s GEOS Composition Forecasts (GEOS-CF), and it has been updated extensively with new emission inventories, improved model physics, satellite data assimilation capability, and an up-to-date chemical mechanism that includes tropospheric halogen chemistry and NOx recycling from particulate nitrate. Earlier versions of the model using GEOS-Chem version 12.0 showed an underestimate in tropospheric ozone in the northern hemisphere. We evaluate the ozone simulation in the updated model, focusing on the effects of assimilating satellite NO 2 data from the Ozone Monitoring Instrument (OMI), constraining stratospheric ozone to satellite data, and updates to the NOx chemistry. We will examine changes in the vertical profiles of tropospheric ozone over the US in support of the Tropospheric Emissions: Monitoring of Pollution (TEMPO), and discuss implications for the tropospheric ozone budget.

Viral Shah↗

Principal Component-Based Radiative Transfer Model (PCRTM) for Hyperspectral Remote Sensors for UV, VVIS, NIR, IR, and FIR Spectral Regions

Fast and accurate radiative transfer models are needed to efficiently process satellite hyperspectral remote sensors. We have developed a Principal Component-based radiative transfer model (PCRTM) which can simulate TOA radiance or reflectance spectra in the cloudy atmosphere for far IR, IR, NIR, VIS, and UV spectral regions quickly and accurately. Multi-scattering of multiple layers of clouds/aerosols is included in the model. Polarization components can also be calculated. The computation speed is 3 to 4 orders of magnitude faster than MODTRAN5, LBLRTM, and VLIDORT. The PCRTM calculated radiance spectra agree with reference RTM calculated radiance spectra very well (0.03 K in IR and 0.05% in solar). Comparisons of the PCRTM model calculations with observed AIRS, CrIS, IASI, NAST-I, and SCIAMACHY data will be presented. The solar-PCRTM has been developed for CLARREO PathFinder (CPF) and has been extensively used for CPF science algorithms. The PCRTM can also be used for many current and future NASA future missions such as EMIT, SBG, TEMPO, and PACE.

pcrtm↗

Joint Assimilation of CO, O3, NO2, SO2, PM, AOD, NH4, PAN, and HNO3 in Support of the Tropospheric Regional Atmospheric Composition and Emissions Reanalysis (2005 - 2024) (TRACER-I)

NASA Ames Research Center is collaborating with the NOAA Chemical Systems Laboratory (NOAA/CSL), the NASA Jet Propulsion Laboratory (JPL), the NASA Goddard Modeling and Assimilation Office, and the National Center for Atmospheric Research to prepare a 20-year Tropospheric Regional Atmospheric Composition and Emissions Reanalysis (2005 – 2024) (TRACER-I) for the continental United States during the summer ozone (O3) and wildfire seasons (April to October). TRACER-I will be a regional complement to JPL’s global Tropospheric Chemistry Reanalyses II and III. We will use WRF-Chem/DART with NOAA/CSL’s WRF-Chem setup at 12 km x 12 km horizontal resolution, 51 vertical levels, and 30 ensemble members. We will assimilate: (i) conventional meteorological observations; (ii) EPA’s Air Quality System in situ measurements of carbon monoxide (CO), O3, nitrogen dioxide (NO2), sulfur dioxide (SO2), particulate matter (PM) with diameters less than 10 µm (PM10), and PM with diameters less than 2.5 µm (PM2.5); and (iii) MOPITT, MODIS, OMI, TROPOMI, GOME-2a, MLS, TES, SCIAMACHY, CrIS, and TEMPO total/partial column and/or profile retrievals of CO, O3, NO2, SO2, aerosol optical depth (AOD), formaldehyde (HCHO), ammonia (NH4), peroxyacetyl nitrate (PAN), and/or nitric acid (HNO3) with 3-hr cycling. We will present an overview of this project, its status, and available results (likely the analysis of sensitivity experiment results from the assimilation/emissions estimation system).

data assimilation↗

An Algorithm for Hyperspectral Remote Sensing of Aerosols: 3. Application to the GEO-TASO Data in KORUS-AQ Field Campaign

This paper describes the third part of a series of investigations to develop algorithms for simultaneous retrieval of aerosol parameters and surface spectral reflectance from the data measured by GEOstationary Trace gas and Aerosol Sensor Optimization (GEO-TASO) instrument. Since the algorithm is designed for future hyperspectral and geostationary satellite sensors, such as Tropospheric Emissions: Monitoring of Pollution (TEMPO), it is applied to GEO-TASO data measured over the same area by different flights as part of the Korea-United Stated Air Quality Study (KORUS-AQ) field campaign in 2016. While GEO-TAOS has a spectral sampling interval of ~0.28 nm in the visible, its data is thinned through a band selection approach with consideration of atmospheric transmittance and different surface types, which yields 20 common spectral bands to be used by the algorithm. The algorithm starts with 4 common principal components (PCs) for surface spectral reflectance extracted from various spectral libraries, and the constraints of surface reflectance parameters and aerosol scattering models respectively from k- means clustering analysis of the Rayleigh-corrected GEO-TASO spectra and AERONET data. The algorithm then proceeds iteratively with an optimal estimation approach to update PCs and retrieve aerosol optical depth (AOD) until the best match between simulated and GEOS-TASO measured spectra is achieved. The spectral AODs are compared between those retrieved from GEO-TASO (x) and 7 AERONETS (y) in 440, 550, 550, 675 nm, respectively. The comparison reveals that iterative updates of surface spectral PCs (and so surface reflectance) yield significant enhancement in AOD retrievals, improving the mean linear fitting equations from y = 0.735x + 0.088 (without update of PCs) to y = 1.055x+ 0.01, and the Pearson correlation coefficient (𝑅𝑅2) from 0.54 to 0.76, respectively. Move case studies are need to further evaluate the algorithm for its application to TEMPO that carries a enhanced version of GEO-TASO instrument.

Tropospheric Emissions: Monitoring of Pollution (T↗

Hemispheric Airborne Measurements of Air Quality (HAMAQ)

Under NASA’s Earth Venture Suborbital program, Hemispheric Airborne Measurements of Air Quality (HAMAQ) will conduct a series of campaigns in 2028 under the Tropospheric Emissions: Monitoring of Pollution (TEMPO) geostationary satellite instrument. HAMAQ plans include two deployments, including the Mexico City megalopolis and another North American site yet to be selected. The effort will include two aircraft, NASA’s B777 for in situ sampling and G-III for remote sensing. These aircraft will be used to complete a system of integrated observations, combining satellite observations, ground-based monitoring and research observations with air quality modeling. HAMAQ field intensives will serve multiple objectives to include: improving the use of satellite observations in concert with traditional ground monitoring to inform air quality; assessing emissions to better understand their timing and source apportionment; advancing the development of satellite proxies for air quality; and assessing the factors controlling local air quality in each location sampled. Given the long lead time for this campaign, this poster welcomes discussion from the community on strategies and candidate sites for the second deployment. Given the broad applicability of the HAMAQ science objectives and observing strategy, possible partnerships to extend the pursuit of the larger vision of HAMAQ to also sample in Asia and Europe are of interest.

James H Crawford↗