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NASA NTRSDate not supplied

Air Quality Forecasting at Sub-City Scale by Combining Models, Satellites, and Surface Measures

While there are a variety of sources for air quality information, no one source simultaneously allows for high accuracy, low bias, fine spatial resolution, wide spatial coverage, high temporal frequency, and the capability for near-term forecasting of air quality. Global models, like the NASA’s Goddard Earth Observing System -Composition Forecasting (GEOS-CF) model, provide global coverage and forecasting capabilities, but operate at relatively coarse spatial resolution and require ground-truthing with in-situ data. Polar-orbiting satellite data products, like those of the ESA TROPOspheric Monitoring Instrument (TROPOMI), provide higher-spatial-resolution remote sensing of atmospheric composition, but are limited by cloud cover and overpass times and report column-integrated quantities. Surface measurements, both from regulatory-grade monitors and low-cost networks, measure “nose-level” air quality, but may not represent concentration variability across large spatial domains, and (in the case of low-cost sensors) are subject to interference and biases. There exists a great potential to combine these diverse data sources together, using the strengths of some to offset the weaknesses of others to build a more comprehensive picture of air quality. This presentation will summarize results from ongoing efforts to produce such a combined forecast, with application case studies for surface-level Nitrogen Dioxide forecasting in several major US cities. Furthermore, we will examine the relative impacts and benefits of different data sources on the forecasting accuracy at different spatial and temporal scales. Finally, we will examine the potential for integrating low-cost sensors into such a system, both in terms of using these integrated air quality estimates as a baseline from which to calibrate networks of low-cost sensors in the field, and in terms of using dense networks of low-cost sensors to refine the spatial resolution of integrated air quality forecasts.

Air Quality↗

NASA NTRS1988

Semi-Lagrangian integration of a grid-point shallow water model on the sphere

This paper describes a semi-Lagrangian technique for integrating the equations of motion on the global domain. The technique uses an auxiliary spherical coordinate system at each near-polar gridpoint of the latitude-longitude grid; the auxiliary system is obtained by a rotation such that the new equator passes through the gridpoint in question and the new coordinate directions coincide with those of the original system at that point. The technique was applied to the shallow water equations, incorporating a semiimplicit treatment of the adjustment terms on a C-grid, with two-time levels. A five day integration was successfully carried out for a situation involving strong cross-polar flow. No filtering or diffusion was required to maintain stability over a five day period.

Mcdonald, A.↗

NASA NTRS2011

Charging and Subsequent Dissipation of a Rover Wheel in the Lunar Polar Regions

As a roving vehicle moves along the lunar surface, electric charge will build up through tribo-charging. This charge collected by the roving object will have a dissipative path to either the surface or the ambient plasma, depending upon which path is most conductive. At the lunar terminator region and into nightside regions, the surface is very cold and becomes a very poor conductor. leaving the plasma as the dominant remediating current for dissipation. However, within lunar craters, even plasma currents become substantially reduced which then greatly increases electric 'dissipation times, This work will involve the advancement of the stepping astronaut charge model, by considering the charging and plasma dissipation of a rolling rover wheel, The objective of this work is to determine the nature of charging and discharging for a rover wheel as it rolls along the cold, plasma-starved lunar polar regions. The rotating wheel accumulates charge via contact electrification (tribo-charging) with the lunar regolith. This tribo-charging is dependent on the composition of the objects in contact, with insulators and conductors charging differently. Given the environmental plasma in the region, we then determine the dissipation time for the wheel to bleed off its excess charge into the surrounding plasma. A model of the rover wheel rotating continuously over a surface regolith within a polar crater has been applied. The environmental plasma has been described previously. We define a new tribo-charging term specifically for the rotating system, with charge levels defined as a function of the wheel size, area in contact with the regolith, regolith particle size distribution, as well as the velocity at which the wheel is turning. We recognize that as charged dust accumulates and sticks to the wheel, this behaves effectively as a new current. Hence, the overall charging of the system should no longer vary linearly. and begin to show signs of saturation, We are devising a dust current term to model this charge-limiting effect, and will present the results in discussion.

Jackson, T. L.↗

DOE OSTI2021

Local-Field Effects in Linear Response Properties within a Polarizable Frozen Density Embedding Method

In this work, we present a polarizable frozen density embedding (FDE) method for calculating polarizabilities of coupled subsystems. The method (FDE-pol) combines a FDE method with an explicit polarization model such that the expensive freeze/thaw cycles can be bypassed, and approximate nonadditive kinetic potentials are avoided by enforcing external orthogonality between the subsystems. To describe the polarization of the frozen environment, we introduce a Hirshfeld partition-based density-dependent method for calculating the atomic polarizabilities of atoms in molecules, which alleviates the need to fit the atomic parameters to a specific system of interest or to a larger general set of molecules. Further, we show that the Hirshfeld partition-based method predicts molecular polarizabilities close to the basis set limit, and thus, a single basis set-dependent scaling parameter can be introduced to improve the agreement against the reference polarizability data. To test the model, we characterized the uncoupled and coupled response of small interacting molecular complexes. Here, the coupled response properties include the perturbation of the frozen system due to the external perturbation which is ignored in the uncoupled response. We show that FDE-pol can accurately reproduce both the exact uncoupled polarizability and the coupled polarizabilities of the supermolecular systems. Using damped response theory, we also demonstrate that the coupled frequency-dependent polarizability can be described by including local field effects. The results emphasize the necessity of including local-field effects for describing the response properties of coupled subsystems, as well as the importance of accurate atomic polarizability models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

The polarization lidar technique for cloud research - A review and current assessment

The development of the polarization lidar technique is reviewed, and the current capabilities and limitations of the technique for the cloud research are discussed. At present, polarization lidar is a key component of climate-research programs designed to characterize the properties of cirrus clouds and is an integral part of multiple remote-sensor studies of mixed-phase cloud systems such as winter mountain storms, making it possible to discriminate between cloud phases and to identify some particle types and orientations. Recent theoretical approaches involving ice crystal ray-tracing and cloud microphysical-model simulations are expected to increase the utility of the polarization lidar technique.

Sassen, Kenneth↗

DOE OSTI2024

From biowaste to BioPave: Biological pathways for sequestration of anthropogenic CO 2 and enhancing durability of roadway infrastructures

Biomass-derived bio-oils are emerging as sustainable, low-carbon alternatives for construction materials, particularly in innovative pavement applications, 'BioPave'. Here, this study evaluates bio-oils from various sources, including algae and wastewater biomass, revealing variations in carbon, nitrogen, and sulfur contents, along with viscosity. We focused on their application in outdoor construction, assessing their resistance to thermal and solar radiation, and moisture. The study also examines their interaction with siliceous surfaces and their influence on asphalt adhesion in BioPave systems under moisture conditions. Laboratory experiments and computational modeling demonstrated molecular composition significantly influenced bio-oils' responses to thermal and UV exposure. Bio-oils rich in polar groups showed hardening upon thermal treatment, while those with higher concentrations of saturated aliphatics remained more stable. Furthermore, our findings highlight the significance of dosage control in maximizing beneficial effects of bio-oils in intermolecular interactions at bitumen-aggregate interface in BioPave applications. These findings offer insights into the potential of bio-oils in sustainable construction and the need for dosage control to optimize pavement performance.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Floquet engineering of Kitaev quantum magnets

Abstract In recent years, there has been an intense search for materials realizing the Kitaev quantum spin liquid model. A number of edge-shared compounds with strong spin-orbit coupling, such as RuCl 3 and iridates, have been proposed to realize this model. Nevertheless, an effective spin Hamiltonian derived from the microscopic model relevant to these compounds generally contains terms that are antagonistic toward the quantum spin liquid. This is consistent with the fact that the zero magnetic field ground state of these materials is generally magnetically ordered. It is a pressing issue to identify protocols to drive the system to the limit of the Kitaev quantum spin model. In this work, we propose Floquet engineering of these Kitaev quantum magnets by coupling materials to a circularly polarized laser. We demonstrate that all the magnetic interactions can be tuned in situ by the amplitude and frequency of the laser, hence providing a route to stabilize the Kitaev quantum spin liquid phase.

36 MATERIALS SCIENCE↗

NASA NTRS1981

Basic research planning in mathematical pattern recognition and image analysis

Fundamental problems encountered while attempting to develop automated techniques for applications of remote sensing are discussed under the following categories: (1) geometric and radiometric preprocessing; (2) spatial, spectral, temporal, syntactic, and ancillary digital image representation; (3) image partitioning, proportion estimation, and error models in object scene interference; (4) parallel processing and image data structures; and (5) continuing studies in polarization; computer architectures and parallel processing; and the applicability of "expert systems" to interactive analysis.

Bryant, J.↗

NASA NTRS1984

A new parameterization of an empirical model for wind/ocean scatterometry

The power law form of the SEASAT A Scatterometer System (SASS) empirical backscatter-to-wind model function does not uniformly meet the instrument performance over the range 4 to 24 /ms. Analysis indicates that the horizontal polarization (H-Pol) and vertical polarization (V-Pol) components of the benchmark SASS1 model function yield self-consistent results only for a small mid-range of speeds at larger incidence angles, and for a somewhat larger range of speeds at smaller incidence angles. Comparison of SASS1 to in situ data over the Gulf of Alaska region further underscores the shortcomings of the power law form. Finally, a physically based empirical SASS model is proposed which corrects some of the deficiencies of power law models like SASS1. The new model allows the mutual determination of sea surface wind stress and wind speed in a consistent manner from SASS backscatter measurements.

Woiceshyn, P. M.↗

NASA NTRS1989

Phase calibration of polarimetric radar images

The problem of phase calibration between polarization channels of an imaging radar is studied. The causes of various types of phase errors due to the radar system architecture and system imperfections are examined. A simple model is introduced to explain the spatial variation in phase error as being due to a displacement between the phase centers of the vertical and horizontal antennas. It is also shown that channel leakage can cause a spatial variation in phase error. Phase calibration using both point and distributed ground targets is discussed and a method for calibrating phase using only distributed target is verified, subject to certain constraints. Experimental measurements using the NADC/ERIM P-3 synthetic-aperture radar (SAR) system and NASA/JPL DC-8 SAR, which operates at C-, L-, and P-bands, are presented. Both of these systems are multifrequency, polarimetric, airborne, SAR systems.

Sheen, Dan R.↗

NASA NTRS1991

SATCOM antenna siting study on P-3C aircraft, volume 2

This volume contains an antenna location study for the P-3C aircraft. From this location study, a determination can be made of the complete antenna system required to achieve the desired pattern and polarization coverage. The antenna used is the same Batwing airborne UHF satellite communications antenna use in volume 1. The aircraft model used in the majority of the locations studied is the simple cylindrical aircraft model defined in volume 1.

Bensman, D. A.↗

NASA NTRS1998

Evaluation of Time-Averaged CERES TOA SW Product Using CAGEX Data

A major component in the analysis of the Earth's radiation budget is the recovery of daily and monthly averaged radiative parameters using noncontinuous spatial and temporal measurements from polar orbiting satellites. In this study, the accuracy of the top of atmosphere (TOA) shortwave (SW) temporal interpolation model for the Clouds and the Earth's Radiant Energy System (CERES) is investigated using temporally intensive half-hourly TOA fluxes from the CERES/ARM/GEWEX Experiment (CAGEX) over Oklahoma (Charlock et al., 1996).

Carlson, Ann B.↗

NASA NTRS2008

Gravity and Extreme Magnetism SMEX

Gas accreting ont,o black holes and neutron stars form a dynamic system generating X-rays with spectroscopic signatures and varying on time scales determined by the system. The radiation from various parts of these systems is surely polarized and compact sources have been calculated to give rise to net polarization from the unresolved sum of the radiation from the systems. Polarization has been looked to for some time as also bearing the imprint of strong gravity and providing complementary information that could resolve ambiguities between the physical models that can give rise to frequencies, time delays, and spectra. In the cases of both stellar black holes and supermassive black holes the net polarizations predicted for probable disk and corona models are less than 10 needed. This sensitivity can be achieved, even for sources as faint as 1 milliCrab, in the Gravity and Extreme Magnetism SMEX (GEMS) mission that uses foil mirrors and Time Projection Chamber detectors. Similarities have been pointed out between the timing and the spectral characteristics of low mass X-ray binaries and stellar black hole sources. Polarization measurements for these sources could play a role in determining the configuration of the disk and the neutron star.

Swank, Jean↗

NASA NTRS2010

CALIPSO at Four: Results and Progress

Aerosols and clouds play important roles in Earth?s climate system, but limitations in our ability to observe them globally limit our understanding of the climate system and our ability to model it. The CALIPSO satellite was developed to provide new capabilities to observe aerosol and cloud from space. CALIPSO carries the first polarization-sensitive lidar to fly in space, which has now provided a four-year record of global aerosol and cloud profiles. This paper briefly summarizes the status of the CALIPSO mission, describes some of the results from CALIPSO, and presents highlights of recent improvements in data products.

Winker, Dave↗

NASA NTRS2014

Toward Improved Land Surface Initialization in Support of Regional WRF Forecasts at the Kenya Meteorological Service (KMS)

Flooding and drought are two key forecasting challenges for the Kenya Meteorological Service (KMS). Atmospheric processes leading to excessive precipitation and/or prolonged drought can be quite sensitive to the state of the land surface, which interacts with the planetary boundary layer (PBL) of the atmosphere providing a source of heat and moisture. The development and evolution of precipitation systems are affected by heat and moisture fluxes from the land surface, particularly within weakly-sheared environments such as in the tropics and sub-tropics. These heat and moisture fluxes during the day can be strongly influenced by land cover, vegetation, and soil moisture content. Therefore, it is important to represent the land surface state as accurately as possible in land surface and numerical weather prediction (NWP) models. Enhanced regional modeling capabilities have the potential to improve forecast guidance in support of daily operations and high-impact weather over eastern Africa. KMS currently runs a configuration of the Weather Research and Forecasting (WRF) NWP model in real time to support its daily forecasting operations, making use of the NOAA/National Weather Service (NWS) Science and Training Resource Center's Environmental Modeling System (EMS) to manage and produce the KMS-WRF runs on a regional grid over eastern Africa. Two organizations at the NASA Marshall Space Flight Center in Huntsville, AL, SERVIR and the Shortterm Prediction Research and Transition (SPoRT) Center, have established a working partnership with KMS for enhancing its regional modeling capabilities through new datasets and tools. To accomplish this goal, SPoRT and SERVIR is providing enhanced, experimental land surface initialization datasets and model verification capabilities to KMS as part of this collaboration. To produce a land-surface initialization more consistent with the resolution of the KMS-WRF runs, the NASA Land Information System (LIS) is run at a comparable resolution to provide real-time, daily soil initialization data in place of data interpolated from the National Centers for Environmental Prediction (NCEP) Global Forecast System (GFS) model soil moisture and temperature fields. Additionally, realtime green vegetation fraction (GVF) data from the Visible Infrared Imaging Radiometer Suite (VIIRS) on the Suomi National Polar-orbiting Partnership (Suomi- NPP) satellite will be incorporated into the KMS-WRF runs, once it becomes publicly available from the National Environmental Satellite Data and Information Service (NESDIS). Finally, model verification capabilities will be transitioned to KMS using the Model Evaluation Tools (MET; Brown et al. 2009) package in conjunction with a dynamic scripting package developed by SPoRT (Zavodsky et al. 2014), to help quantify possible improvements in simulated temperature, moisture and precipitation resulting from the experimental land surface initialization. Furthermore, the transition of these MET tools will enable KMS to monitor model forecast accuracy in near real time. This paper presents preliminary efforts to improve land surface model initialization over eastern Africa in support of operations at KMS. The remainder of this extended abstract is organized as follows: The collaborating organizations involved in the project are described in Section 2; background information on LIS and the configuration for eastern Africa is presented in Section 3; the WRF configuration used in this modeling experiment is described in Section 4; sample experimental WRF output with and without LIS initialization data are given in Section 5; a summary is given in Section 6 followed by acknowledgements and references.

Case, Johnathan L.↗

NASA NTRS2019

Surface Polarized Reflectance Analysis For Aerosol Remote Sensing

We study the Earth surface polarized reflectance using data collected by a space-based lidar. Accurate modelling of the surface reflectance supports retrieval algorithm development for the current and future Earth Science missions. Strong polarization of the laser light from Cloud-Aerosol Transport System (CATS) instrument, operated in 2015-2017, and nighttime measurements yield higher signal-to-noise ratio for polarization compared to the previous analysis of reflected, initially unpolarized, solar light.

Earth surface polarized reflectance↗

DOE OSTI2020

Predicting Excitation Energies of Twisted Intramolecular Charge-Transfer States with the Time-Dependent Density Functional Theory: Comparison with Experimental Measurements in the Gas Phase and Solvents Ranging from Hexanes to Acetonitrile

Electronically excited states characterized by intramolecular charge transfer play an essential role in many biological processes and optical devices. The ability to make quantitative ab initio predictions of the relative energetics involved is a challenging yet desirable goal, especially for large molecules in solution. In this work, we present a data set of 61 experimental measurements of absorption and emission processes, both in the gas phase and in solvents representing a broad range of polarities, which involve intramolecular charge transfer mediated by a nonzero, "twisted" dihedral angle between one or more donor and acceptor subunits. Among a variety of density functionals investigated within the framework of linear-response theory, the "optimally tuned" LRC-ωPBE functional, which utilizes a system-specific yet nonempirical procedure to specify the range-separation parameter, emerges as the preferred choice. For the entire set of excitation energies, involving changes in dipole moment ranging from 4 to >20 Debye, the mean signed and absolute errors are 0.02 and 0.18 eV, respectively (compared, e.g., to -0.30 and 0.30 for PBE0, 0.44 and 0.47 for LRC-ωPBEh, 0.83 and 0.83 for ωB97X-V). We analyze the performance of polarizable continuum solvation models available in Q-Chem that partition the solvent response into fast and slow time scales, and clear trends emerge when measurements corresponding to the four small 4-(dimethylamino)benzonitrile (DMABN)-like molecules and a charged species are excluded. We make the case that the large errors found only for small molecules in the gas phase and weak solvents cannot be expected to improve via the optimal tuning procedure, which enforces a condition that is exact only in the well-separated donor-acceptor limit, and present empirical evidence implicating the outsized importance for small donor-acceptor systems of relaxation effects that cannot be accounted for by the linear-response time-dependent density functional theory within the adiabatic approximation. Finally, we demonstrate the utility of the optimally tuned density functional approach by targeting the charge-transfer states of a large biomimetic model system for light-harvesting structures in Photosystem II.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1980

Vegetation clutter model

The statistical behavior of the radar backscattering coefficient of agricultural crops is examined. The data used were obtained by the microwave active spectrometer (MAS) systems in 1975 and 1976. Based on an evaluation of the angular and spectral variation of the mean, median, and 90-percent dynamic range of the coefficient (dB) histograms, empirical expressions describing the joint angular and frequency dependence of the mean and median were generated for each linear polarization configuration. The clutter model thus generated covers the angular range between 0 deg (nadir) and 80 deg and the frequency range between 1 GHz and 18 GHz. Decorrelation of the coefficient with frequency spacing was also evaluated and modeled.

Ulaby, F. T.↗