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NASA NTRS2015

Python-Based Scientific Analysis and Visualization of Precipitation Systems at NASA Marshall Space Flight Center

At NASA Marshall Space Flight Center (MSFC), Python is used several different ways to analyze and visualize precipitating weather systems. A number of different Python‐based software packages have been developed, which are available to the larger scientific community. The approach in all these packages is to utilize pre‐existing Python modules as well as to be object‐oriented and scalable. The first package that will be described and demonstrated is the Python Advanced Microwave Precipitation Radiometer (AMPR) Data Toolkit, or PyAMPR for short. PyAMPR reads geolocated brightness temperature data from any flight of the AMPR airborne instrument over its 25‐year history into a common data structure suitable for user‐defined analyses. It features rapid, simplified (i.e., one line of code) production of quick‐look imagery, including Google Earth overlays, swath plots of individual channels, and strip charts showing multiple channels at once. These plotting routines are also capable of significant customization for detailed, publication‐ready figures. Deconvolution of the polarization‐varying channels to static horizontally and vertically polarized scenes is also available. Examples will be given of PyAMPR's contribution toward real‐time AMPR data display during the Integrated Precipitation and Hydrology Experiment (IPHEx), which took place in the Carolinas during May‐June 2014. The second software package is the Marshall Multi‐Radar/Multi‐Sensor (MRMS) Mosaic Python Toolkit, or MMM‐Py for short. MMM‐Py was designed to read, analyze, and display three‐dimensional national mosaicked reflectivity data produced by the NOAA National Severe Storms Laboratory (NSSL). MMM‐Py can read MRMS mosaics from either their unique binary format or their converted NetCDF format. It can also read and properly interpret the current mosaic design (4 regional tiles) as well as mosaics produced prior to late July 2013 (8 tiles). MMM‐Py can easily stitch multiple tiles together to provide a larger regional or national picture of precipitating weather systems. Composites, horizontal and vertical crosssections, and combinations thereof are easily displayed using as little as one line of code. MMM‐Py can also write to the native MRMS binary format, and sub‐sectioning of tiles (or multiple stitched tiles) is anticipated to be in place by the time of this meeting. Thus, MMM‐Py also can be used to power the creation of custom mosaics for targeted regional studies. Overlays of other data (e.g., lightning observations) are easily accomplished. Demonstrations of MMM‐Py, including the creation of animations, will be shown. Finally, Marshall has done significant work to interface Python‐based analysis routines with the U.S. Department of Energy's Py‐ART software package for radar data ingest, processing, and analysis. One example of this is the Python Turbulence Detection Algorithm (PyTDA), an MSFC‐based implementation of the National Center for Atmospheric Research (NCAR) Turbulence Detection Algorithm (NTDA) for the purposes of convective‐scale analysis, situational awareness, and forensic meteorology. PyTDA exploits Py‐ART's radar data ingest routines and data model to rapidly produce aviation‐relevant turbulence estimates from Doppler radar data. Work toward processing speed optimization and better integration within the Py‐ART framework will be highlighted. Python‐based analysis within the Py‐ART framework is also being done for new research related to intercomparison of ground‐based radar data with satellite estimates of ocean winds, as well as research on the electrification of pyrocumulus clouds.

Lang, Timothy J.↗
DOE OSTI2021

The electron-transfer intermediates of the oxygen evolution reaction (OER) as polarons by in situ spectroscopy

The conversion of diffusive forms of energy (electrical and light) into short, compact chemical bonds by catalytic reactions regularly involves moving a carrier from an environment that favors delocalization to one that favors localization. While delocalization lowers the energy of the carrier through its kinetic energy, localization creates a polarization around the carrier that traps it in a potential energy minimum. The trapped carrier and its local distortion—termed a polaron in solids—can play a role as a highly reactive intermediate within energy-storing catalytic reactions but is rarely discussed as such. Here, we present this perspective of the polaron as a catalytic intermediate through recent in situ and time-resolved spectroscopic investigations of photo-triggered electrochemical reactions at material surfaces. The focus is on hole-trapping at metal–oxygen bonds, denoted M–OH*, in the context of the oxygen evolution reaction (OER) from water. The potential energy surface for the hole-polaron defines the structural distortions from the periodic lattice and the resulting “active” site of catalysis. This perspective will highlight how current and future time-resolved, multi-modal probes can use spectroscopic signatures of M–OH* polarons to obtain kinetic and structural information on the individual reaction steps of OER. A particular motivation is to provide the background needed for eventually relating this information to relevant catalytic descriptors by free energies. Lastly, the formation of the O–O chemical bond from the consumption of M–OH*, required to release O 2 and store energy in H 2 , will be discussed as the next target for experimental investigations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

The development and validation of command schedules for SeaWiFS

An automated method for developing and assessing spacecraft and instrument command schedules is presented for the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) project. SeaWiFS is to be carried on the polar-orbiting SeaStar satellite in 1995. The primary goal of the SeaWiFS mission is to provide global ocean chlorophyll concentrations every four days by employing onboard recorders and a twice-a-day data downlink schedule. Global Area Coverage (GAC) data with about 4.5 km resolution will be used to produce the global coverage. Higher resolution (1.1 km resolution) Local Area Coverage (LAC) data will also be recorded to calibrate the sensor. In addition, LAC will be continuously transmitted from the satellite and received by High Resolution Picture Transmission (HRPT) stations. The methods used to generate commands for SeaWiFS employ numerous hierarchical checks as a means of maximizing coverage of the Earth's surface and fulfilling the LAC data requirements. The software code is modularized and written in Fortran with constructs to mirror the pre-defined mission rules. The overall method is specifically developed for low orbit Earth-observing satellites with finite onboard recording capabilities and regularly scheduled data downlinks. Two software packages using the Interactive Data Language (IDL) for graphically displaying and verifying the resultant command decisions are presented. Displays can be generated which show portions of the Earth viewed by the sensor and spacecraft sub-orbital locations during onboard calibration activities. An IDL-based interactive method of selecting and testing LAC targets and calibration activities for command generation is also discussed.

Woodward, Robert H.↗
DOE OSTI2026

Capacity of Arctic fjord sediments to degrade carbohydrates from permafrost active layer

The degradation of organic matter (OM) by microorganisms in thawing permafrost produces greenhouse gases. Terrestrial OM is transported into fjords through hydrological runoff, but it is unclear whether the microbial mechanisms of OM degradation on land persist after soils enter marine environments, which differ greatly in conditions and microbial communities. This question is particularly relevant for low-OM soils, which dominate Arctic landscapes and are more exposed to oxidants. Here, we compared OM-degrading capacity in permafrost-affected active layer soils and adjacent fjord sediments from Kongsfjorden, Svalbard, focusing on carbohydrate-active enzymes (CAZymes), which target some of the most abundant types of organic matter in soils. Using multi-omics approaches—metagenomics, metagenome-assembled genomes (MAGs), metabolomics, metatranscriptomics, and metaproteomics—we examined CAZyme presence, distribution, and activity. Despite environmental differences, both soils and sediments harbored diverse glycoside hydrolases and polysaccharide lyases, most of which showed evidence of activity. Verrucomicrobia expressed the highest number of CAZyme transcripts, indicating that they dominated active carbohydrate degradation in fjord sediments, while Acidobacteria and Actinobacteria were more active in soils. Notably, CAZymes in fjord sediments targeted primarily soil-derived OM, and the proportions of enzymes degrading terrestrial OM, marine OM, and microbial necromass—remnants of dead microbial cells were similar across both environments. These results suggest that microbial communities in both soils and fjord sediments are equipped to degrade carbohydrates, and that burial of terrestrial-derived OM in fjord sediments may not protect it from microbial breakdown under Arctic warming.

Chukwufumnanya, Abuah [University of Tennessee, Kn↗
DOE OSTI2025

Elastic scattering in the 12 N + 197 Au system at 𝐸 lab = 70 MeV

Halo structure is an interesting exotic configuration developed in some light weakly bound nuclei, where a valence particle orbits a nuclear core. Signatures of halo structure can be observed in the angular distributions of the elastic scattering induced by these nuclei at energies around the Coulomb barrier. There are some well-studied reactions with neutron-rich halo nuclei, such as 6 He and 11 Li . However, the information is scarce on the proton-rich side. Recent works confirm the halo structure in the 8B nuclei but still lack more experimental studies for other proton-halo candidates, such as 12 N and 17 F. In this work, we report experimental data for the elastic scattering of 12 N on 197 Au target at 𝐸 lab = 70 MeV. The 12 N is a proton-rich nucleus with proton separation energy 𝑆 𝑝 = 600 keV, which is higher than the 8 B (𝑆 𝑝 = 137 keV) and almost the same as the 17 F (𝑆 𝑝 = 601 keV). Data were obtained at the Cyclotron Institute of Texas A&M University where the 12 N radioactive beam was produced by the momentum achromatic recoil spectrometer. The calculation of the optical model was used to fit the measured angular distribution for the elastic scattering and to obtain the reaction cross section 𝜎 𝑅 . We also performed continuum discretized coupled-channel calculations to compare with the experimental data. The angular distribution of the elastic cross sections exhibits a suppression of the Fresnel peak. From the fitting of the optical model, we obtain the total reaction cross section, 𝜎 𝑅 = 1269 ± 41 mb. The agreement between the CDCC calculation and the experimental elastic scattering data is limited and the breakdown does not exhaust the measured 𝜎 𝑅 . The resulting reduced reaction cross section 𝜎 Red for 12 N + 197 Au is large and comparable to the one obtained for the 8 B + 208 Pb system. This suggests a strong decoupling of the valence proton from the core because of the low binding energy and a dynamic polarization effect. Here, more research is required to estimate the contribution of core excitation.

Elastic scattering reactions↗
NASA NTRS2006

Antarctic Iceberg Tracking Based on Time Series of Aqua AMSRE Microwave Brightness Temperature Measurements

Observations of icebergs are identified as one of the requirements for the GEOSS (Global Earth Observation System of Systems) in the area of reducing loss of life and property from natural and human-induced disasters. However, iceberg observations are not included among targets in the GEOSS 10-Year Implementation Plan, and thus there is an unfulfilled need for iceberg detection and tracking in the near future. Large Antarctic icebergs have been tracked by the National Ice Center and by the academic community using a variety of satellite sensors including both passive and active microwave imagers, such as SSM/I (Special Sensor Microwave/Imager) deployed on the DMSP (Defense Meteorological Satellite Program) spacecraft. Improvements provided in recent years by NASA and non-NASA satellite radars, scatterometers, and radiometers resulted in an increased number of observed icebergs and even prompted a question: Is The Number of Antarctic Icebergs Really Increasing? [D.G. Long, J. Ballantyne, and C. Bertoia, Eos, Transactions of the American Geophysical Union 83 (42): 469 & 474, 15 October 2002]. AMSR-E (Advanced Microwave Scanning Radiometer for the Earth Observing System) represents an improvement over SSM/I, its predecessor. AMSR-E has more measurement channels and higher spatial resolution than SSM/I. For example, the instantaneous field of view of the AMSR-E s 89-GHz channels is 6 km by 4 km versus 16 km by 14 km for SSM/I s comparable 85-GHz channels. AMSR-E, deployed on the Aqua satellite, scans across a 1450-km swath and provides brightness temperature measurements with nearglobal coverage every one or two days. In polar regions, overlapping swaths generate coverage up to multiple times per day and allow for creation of image time series with high temporal resolution. Despite these advantages, only incidental usage of AMSR-E data for iceberg tracking has been reported so far, none in an operational environment. Therefore, an experiment was undertaken in the RPC (Rapid Prototyping Capability) of NASA s (National Aeronautics and Space Administration) Applied Science Program to demonstrate that passive microwave brightness temperature measurements acquired by AMSR-E can be effectively used to track iceberg movement around Antarctica. The RPC s robust computation environment enabled processing of terabytes of data products available from the NASA Distributed Active Archive Center at the National Snow and Ice Data Center. Iceberg tracking based on the AMSR-E Level 2A data product was compared with records from the National Ice Center for currently existing icebergs. Some icebergs as small as roughly 10 km in size were easily observed, but tracking of many others, even larger ones, was obscured by presence of sea ice surrounding the icebergs. The best results, such as for the large iceberg A22A, were achieved when an iceberg was in open ocean.

Blonski, Slawomir↗
NASA NTRSDate not supplied

Open Source Application of Fusing Aerosol Products from GEO and LEO Satellites

Retrieving aerosol optical depths (AODs) from sun-synchronous polar orbiting (aka low earth orbit, LEO) satellites, such as MODISs, and VIIRSs, OMI, TROPOMI, etc, has become well-established as a tool for extracting information on particulate matter (PM) and related processes in the atmosphere. However, with recently launched geostationary satellites (GEO), such as GOES-16/17/18, and Himawari-8/9, and Meteosat Third Generation (MTG) they provide a much higher temporal resolution (order of 10 minutes), typically an image once or more per hour during daylight compared to LEO once per day. By combining these observations, we may be able to characterize the diurnal cycle of global AOD at the local, regional and global scale. While the science community is still exploring the new data from GEO observations, we have been thinking about how to properly combine/merge/fuse those data considering differences in their spatial and temporal resolutions. However, this poses a “Big Data” challenge. The big data challenge is not just about data storage, but also about data discoverability, and accessibility, and even more, about data migration/mirroring in the cloud-computing environment. This paper is merely showing some of the efforts and approaches we have attempted in fusing six satellites’ Level 2 aerosol data (three are from GEO (GOES-16/17 and Himawari-8), and the other three are from LEO (TERRA/MODIS, AQUA/MODIS, SNPP-VIIRS) from Dark Target (DT) aerosol retrieval algorithm. Having the on-demand capability of fusing remote sensing products onto the desired temporal and spatial domain enables researchers and application practitioners to better manipulate and work with satellite and sensor data. It is our hopeWe hope that by making such an open-source package, and the accompanying functionality, the scientific community will be granted easier access to aerosol data processing resources. The MEaSUREs Program (Making Earth System Data Records for Use in Research Environments) expands our understanding of the Earth's current system through atmospheric and surface measurements. In an effort to aid the scientific research component and improve open source methods, this project developed Python code for fusing six satellite Level 2 aerosol data (three are from geostationary satellites (GEO), and the other three are from low earth orbital satellites (LEO)) from Dark Target Aerosol Retrieval Algorithm.

Jennifer Wei↗
NASA NTRS1994

(abstract) A Low-Cost Mission to 2060 Chiron Based on the Pluto Fast Flyby

The Pluto Fast Flyby-based mission to Chiron described in this paper is a low cost, scientifically rewarding, focused mission in the outer solar system. The proposed mission will make a flyby of 2060 Chiron, an active 'comet' with over 10(sup 4) times the mass of Halley, and an eccentric, Saturn-crossing orbit which ranges from 8.5 to 19 AU. This mission concept achieves the flyby 4.2 years after launch on a direct trajectory from Earth, is independent of Jupiter launch windows, and fits within Discovery cost guidelines. This mission offers the scientific opportunity to examine a class of object left unsampled by the trail-blazing Mariners, Pioneers, Voyagers, and missions to Halley. Spacecraft reconnaissance of Chiron addresses unique objectives relating to cometary science, other small bodies, the structure of quasi-bound atmospheres on modest-sized bodies, and the origin of primitive bodies and the giant planets. Owing to Chiron's large size (180<D<370 km), unique nature, and unusual orbit, this mission is likely to draw significant public interest. As described by COMPLEX, the SSEC, and later the SSES, flybys are the appropriate scale missions for initial reconnaissance missions. Carrying three sophisticated instruments, the proposed flyby will return critical data about Chiron's size, shape, polar obliquity, atmosphere, surface morphology, surface composition, internal structure, surface activity (including the nature of Chiron's outbursts), and origin. Engineering analysis indicates that the spacecraft is capable of navigating to and encountering Chiron at close approach distances of less than 5 000 km, well inside the 50 000 to 150 000 km coma, and perhaps within the collisional chemistry zone of the coma. The low cost of the proposed Chiron mission is based on the opportunity to use the planned Pluto Flyby spare spacecraft and a Proton Expendable Launch Vehicle (ELV) (the pluto spacecraft is being designed to be compatible with a Proton launch). Backup launch opportunities on Delta II and Atlas ELVs are available. The Pluto Fast Flyby mission plans to develop a low cost ($150M), lightweight (<150 kg) outer planet spacecraft which is well suited to flyby reconnaissance in the outer solar system. This Chiron flyby mission is designed to leverage SSED's Pluto spacecraft investment into a scientifically valuable successor mission within the Discovery cost cap. Taking advantage of the spare spacecraft, we estimate the Discovery Chiron intercept mission can be launched for less than $100 M. We believe this makes a highly attractive proposal, which maintains US presence and leadership in the study of the outer solar system, and enables the first-time exploration of a wholly new class of planetary target, an outer solar system planetesimal.

2060 Chiron planetesimal flyby Pluto Fast Flyby sp↗
NASA NTRSDate not supplied

Phosphate Textural Diversity in CI Chondrites and C-Type Asteroids

Introduction: Apatite, Ca 5 (PO 4 ) 3 (CL/F/OH-), is a ubiquitous phosphate found throughout the solar system, including the most primitive solids, CI-chondrites [1,2] and related samples of carbonaceous asteroids Ryugu [3] and Bennu [4], returned by JAXA’s Hayabusa2 and NASA’s OSIRIS-REx missions, respectively. Apatite in these primitive solids is found as individual grains or mineral clusters and has been inferred to form from the hydrothermal sequence during cooling of their respective parent body or bodies. To better understand the formation history and reworking of these early phosphates we have undertaken a highly coordinated study of phosphate microstructures, geochemistry and U/Pb geochronology from a suite of CI meteorites and carbonaceous asteroid samples. These data have identified novel phosphate microstructures and complex relationships across a suite of apatite grains from the early solar system, indicating multiple episodes of growth and modification on the CI parent body(ies). Methods: Samples of CI chondrites, Alais, Ivuna, Orgueil, Oued Chebeika 002, Yamato (Y) 82162, Y980115, Y980134, and two chips of Hayabusa2 Ryugu particles (A0262 and C0263) have been acquired for analysis. The bulk texture of the samples were first scanned by X-ray Computed Tomography (XCT) using the Nikon XT H 320 within the XFACT facility at NASA JSC or the Xradia 620 Versa at the UTCT facility. Based on the identification of petrofabrics or features of interest from the XCT data, samples were chipped, oriented, potted in epoxy and thick sections were prepared. After anhydrously polishing the samples with silicon carbide and dry diamond powder down to 1 µm, the samples were ion polished using a Hitachi ArBlade. Energy dispersive Xray spectrometry (EDS) maps were collected to ID phosphates of interest using a JEOL 7900F SEM. The internal microstructures of identified phosphates were then mapped by electron backscatter diffraction (EBSD) using the JEOL 7900F. Based on the EDS and EBSD data, domains of interest were targeted for quantitative chemical analyses using a JEOL 8530 EPMA. Subsequently, in situ U-Pb and 207 Pb/ 206 Pb ages will be collected using a Cameca ims1290 secondary ion mass spectrometer at UCLA across a range of microstructures. Results: Apatite grains are ubiquitous throughout the CI chondrites and carbonaceous asteroid materials, found as individual grains, disseminated clusters or grain aggregates. Apatite grains are associated with serpentine, magnet-ite, and/or carbonate. Of particular interest, we have identified individual and aggregate polycrystalline grains ex-hibiting an internal ‘honeycomb’ texture (Fig. 1). Some of these grains appear overprinted by subsequent alteration while others remain unaltered. Apatite halogen sites are dominated by the missing component, assumed to be OH, and F, comparable to published values from Bennu, Ryugu and CM-chondrites [3-5]. However, the Yamato CI-like meteorites show a broader range of Cl values, and one grain from Alais is dominated by CL. Summary: Apatite growth features indicate a protracted and complex growth history, consistent with precipitation from an evolving fluid system. The ‘honeycomb’ texture identified in some CI meteorites is, to the best of our knowledge, the first report of such a microstructure in meteoritic phosphate. The microtextures and zoning will guide subsequent age analyses, to better constrain the formation and reworking of phosphate in CI(-like) materials. Acknowledgments: We thank the National Institute of Polar Research, Japan for samples of Y82162, 980115 and 980134 meteorites, ASU’s Buseck Center for Meteorite Studies for samples of Ivuna and Alais meteorites, and JAXA curation for chips of Ryugu material. This work was funded by NASA ROSES LARS grant 24-LARS24-0014. References: [1] Morlok et al., 2016, GCA 70:5371-5394. [2] Alfin g et al., 2019, Geochemistry 79:125532. [3] Nakamura et al. (2022) Science 379:1-15. [4] Seifert et al. (2026) MAPS 61:504-521. [5] Piralla et al. (2021) MAPS 56:809-828.

CI chondrites↗
NASA NTRS2023

Aqua MODIS: 20 Years of On-orbit Calibration and Performance

Since its launch in May 2002, Aqua MODIS has successfully operated for more than 20 years and has continuously generated a wide range of data products that have enabled and supported the remote sensing community and users worldwide for their studies of the Earth’s system by monitoring changes in its key environmental parameters. Although Aqua MODIS, designed with a lifetime requirement of 6 years, is currently operated in its extended mission phase, it continues to make high quality global observations of the Earth’s surface via its 36 spectral bands that cover wavelengths from visible to long-wave infrared. To date, all instrument on-board calibrators (OBC) remain capable of performing their design functions, providing various calibration data sets to help monitor on-orbit changes in sensor responses and performance characteristics. In addition to the OBC, regularly scheduled lunar observations and select Earth-view targets are used extensively to support sensor on-orbit calibration, especially for the calibration of the visible channels (or bands). In this paper, we provide an overview of Aqua MODIS on-orbit calibration activities and methodologies for both reflective solar bands (RSB) and thermal emissive bands (TEB), illustrate its on-orbit performance over the past 20 years using examples derived from OBC measurements, lunar observations, and Earth-view response trends, and describe various calibration improvements made over its entire mission. We focus on key issues identified since launch, such as solar diffuser degradation, electronic crosstalk, and on-orbit changes in sensor response versus scan-angle, along with approaches and strategies developed to mitigate their impact on sensor calibration quality. Also discussed in this paper are some of the key calibration enhancements incorporated recently in the Collection 6.1 and the upcoming Collection 7 Level-1B algorithms.

Polarization↗
NASA NTRS2023

Origin and Evolution of Enceladus’s Tidal Dissipation

Enceladus possesses a subsurface ocean beneath a conductive ice shell. Based on shell thickness models, the estimated total conductive heat loss from Enceladus is 25–40 GW; the measured heat output from the South Polar Terrain (SPT) is 4–19 GW. The present-day SPT heat flux is of order 100 mWm -21 −, comparable to estimated paleo-heat fluxes for other regions of Enceladus. These regions have nominal ages of about 2 Ga, but the estimates are uncertain because the impactor flux in the Saturnian system may not resemble that elsewhere. Enceladus’s measured rate of orbital expansion implies a low dissipation factor Q p for Saturn, with Q p ≈3×10 -3 (neglecting the role of Dione). This value implies that Enceladus’s present-day equilibrium tidal heat production (roughly 50 GW, but with large uncertainties) is in approximate balance with its heat loss. If Q p is constant, Enceladus cannot be older than 1.5 Gyr (because otherwise it would have migrated more than is permissible). However, Saturn’s dissipation may be better described by the “resonance-locking” theory, in which case Enceladus’s orbit may have only evolved outwards by about 35% over the age of the Solar System. In the constant-Q p scenario, any ancient tidal heating events would have been too energetic to be consistent with the observations. Because resonance-locking makes capture into earlier mean-motion orbital resonances less likely, the inferred ancient heating episodes probably took place when the current orbital resonance was already established. In the resonance-locking scenario, tidal heating did not change significantly over time, allowing for a long-lived ocean and a relatively stable ice shell. If so, Enceladus is an attractive target for future exploration from a habitability standpoint.

Satellites of Saturn↗
NASA NTRS2018

CARBO - The Carbon Observatory Instrument Suite - The Next Generation of Earth Observing Instruments for Global Monitoring of Carbon Gases

The Carbon Observatory Instrument Suite, or CARBO, consists of four carbon observing instruments sharing a common instrument bus, yet targeted for a particular wavelength band each with a unique science observation. They are: a) Instrument 1, wavelength centered at 756 nm for oxygen and solar-induced chlorophyll fluorescence (SIF) observations, b) Instrument 2, centered at 1629 nm, for carbon dioxide (CO2) and methane (CH4) observation, c) Instrument 3, centered at 2062 nm for carbon dioxide and d) Instrument 4, centered at 2328 for carbon monoxide (CO) and methane. From low-Earth orbit, these instruments have a field-of-view of 10 to 15 degrees, and a spatial resolution of 2 km square. These instruments have a spectral resolving power ranging from ten to twenty thousand, and can monitor columnaverage dry air mole fraction of carbon dioxide (XCO2) at 1.5 ppm, and methane (XCH4) at 7 ppb. These new instruments will advance the use of immersion grating technology in spectrometer instruments in order to reduce the size of the instrument, while improving performance. These compact, capable instruments are envisioned to be compatible with small satellites, yet modular to be configured to address the particular science questions at hand. Here we report on the current status of the instrument design and fabrication, focusing primarily on Instruments 1 and 2. We will describe the key science and engineering requirements and the instrument performance error budget. We will discuss the optical design with particular emphasis on the immersion grating, and the advantages this new technology affords compared to previous instruments. We will also discuss the status of the focal plane array and the detector electronics and housing. Finally, we report on a new approach – developed during this instrument design process - which enables simultaneous measurement of both orthogonal polarization states (S and P) over the field-of-view and optical bandpass. We believe this polarization sensing capability will enable science observations which were previously limited by instrumental and observational degeneracies. In particular: improved sensitivity to all species, better sensitivity to surface polarization effects, better constraints on aerosol scattering parameters, and superior discrimination of the vertical distribution of gases and aerosols.

Bernas, Michael↗
NASA NTRS1999

Calibration of the Geosar Dual Frequency Interferometric SAR

GeoSAR is an airborne, interferometric Synthetic Aperture Radar (INSAR) system for terrain mapping, currently under development by a consortium including NASA's Jet Propulsion Laboratory (JPL), Calgis, Inc., and the California Department of Conservation (CalDOC) with funding provided by the Topographic Engineering Center (TEC) of the U.S. Army Corps of Engineers and the Defense Advanced Research Projects Agency (DARPA). The radar simultaneously maps swaths on both sides of the aircraft at two frequencies, X-Band and P-Band. For the P-Band system, data is collected for two across track interferometric baselines and at the crossed polarization. The aircraft position and attitude are measured using two Honeywell Embedded GPS Inertial Navigation Units (EGI) and an Ashtech Z12 GPS receiver. The mechanical orientation and position of the antennas are actively measured using a Laser Baseline Metrology System (LBMS). In the GeoSAR motion measurement software, these data are optimally combined with data from a nearby ground station using Ashtech PNAV software to produce the position, orientation, and baseline information are used to process the dual frequency radar data. Proper calibration of the GeoSAR system is essential to obtaining digital elevation models (DEMS) with the required sub-meter level planimetric and vertical accuracies. Calibration begins with the determination of the yaw and pitch biases for the two EGI units. Common range delays are determined for each mode, along with differential time and phase delays between channels. Because the antennas are measured by the LBMS, baseline calibration consists primarily of measuring a constant offset between mechanical center and the electrical phase center of the antennas. A phase screen, an offset to the interferometric phase difference which is a function of absolute phase, is applied to the interferometric data to compensate for multipath and leakage. Calibration parameters are calculated for each of the ten processing modes, each of the operational bandwidths (80 and 160 MHZ), and each aircraft altitude. In this talk we will discuss the layout calibration sites, the synthesis of data from multiple flights to improve the calibration, methods for determining time and phase delays, and techniques for determining radiometric and polarimetric quantities. We will describe how calibration quantities are incorporated into the processor and pre-processor. We will demonstrate our techniques applied to GeoSar data and assess the stability and accuracy of the calibration. This will be compared to the modeled performance determined from calibrating the output of a point target simulator. The details of baseline determination and phase screen calculation are covered in related talks.

Chapine, Elaine↗
DOE OSTI2021

Exploring Causal Physical Mechanisms via Non-Gaussian Linear Models and Deep Kernel Learning: Applications for Ferroelectric Domain Structures

Rapid emergence of multimodal imaging in scanning probe, electron, and optical microscopies has brought forth the challenge of understanding the information contained in these complex data sets, targeting the intrinsic correlations between different channels, and further exploring the underpinning causal physical mechanisms. Here, we develop such an analysis framework for Piezoresponse Force Microscopy. We argue that under certain conditions, we can bootstrap experimental observations with the prior knowledge of materials structure to get information on certain nonobserved properties, and demonstrate linear causal analysis for PFM observables. We further demonstrate that the strength of individual causal links between complex descriptors can be ascertained using the deep kernel learning (DKL) model. In this DKL analysis, we use the prior information on domain structure within the image to predict the physical properties. This analysis demonstrates the correlative relationships between morphology, piezoresponse, elastic property, etc., at nanoscale. The prediction of morphology and other physical parameters illustrates a mutual interaction between surface condition and physical properties in ferroelectric materials. Overall, this analysis is universal and can be extended to explore the correlative relationships of other multichannel data sets, and allow for high-fidelity reconstruction of underpinning functionalities and physical mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Advanced Al Mirrors Protected with LiF Overcoat to Realize Stable Mirror Coatings for Astronomical Telescopes

Pure Aluminum (Al) exhibits intrinsic high reflectance over the proposed Large UV/Optical/IR (LUVOIR) Surveyor observatory target spectral range (90-2500 nm). However, Al coatings have to be protected from oxygen exposure in order to prevent the formation of the naturally occurring Al2O3 oxide layer, which limit performance for use only above 160 nm. Aluminum protected with fluorides such as LiF or MgF2 have been the most commonly used solutions. But below 102 nm and down to 90 nm, no transparent material is available to protect Al and coating mirror reflectance stays below 40%. But even above 102 nm, the reflectance of protected Al is limited by the residual absorption of the fluoride overcoats. Hence, this paper will report on recent advances in producing enhanced Al-based mirror coatings with the highest possible far-ultraviolet (FUV) reflectance, while exhibiting a more stable LiF protection layer. The process starts with a bare optically smooth glass substrate that is coated with Al in an ultra-high vacuum chamber by using the physical vapor deposition (PVD) process, which has been shown to provide the best aluminum thin-films when compared to other approaches. The next step is done by in-situ exposure of the freshly made Al film to a reactive XeF2 gas that will grant a thin AlF3 overcoat (2-3 nm) to the Al film that prevents further oxidation. This fluorinated Al film is then coated with a final layer of a LiF metal-fluoride overcoat. The coating process is finalized with a second exposure to the XeF2 precursor gas. The preparation of these mirror coatings will be studied and analyzed as a function of the XeF2 exposure time and deposition rate of the LiF layer during the PVD process. This paper will present and discuss characterization of a number of Al+XeLiF witness coupons produced with this reactive PVD (rPVD) process. These studies include characterization of specular reflectance in the 90-2500 nm spectral range, micro-roughness, long-term stability, as well as polarization characteristics in the visible and near-infrared spectral regions. These studies have been performed in order to demonstrate the improved reflectance performance, longer durability, and less hygroscopic nature of protected Al mirrors produced with the rPVD process (through exposure to XeF2) and in comparison with the standard PVD process.

optics↗
NASA NTRS1992

Interplanetary meteoroid debris in LDEF metal craters

The extraterrestrial meteoroid residue found lining craters in the Long Duration Exposure Facility (LDEF) aluminum and gold targets is highly variable in both quantity and type. In typical craters only a minor amount of residue is found and for these craters it is evident that most of the impacting projectile was ejected during crater formation. Less than 10 percent of the craters greater than 100 microns contain abundant residue consistent with survival of a major fraction of the projectile. In these cases the residue can be seen optically as a dark liner and it can easily be analyzed by SEM-EDX techniques. Because they are rare, the craters with abundant residue must be a biased sampling of the meteoroids reaching the earth. Factors that favor residue retention are low impact velocity and material properties such as high melting point. In general, the SEM-EDX observations of crater residues are consistent with the properties of chondritic meteorites and interplanetary dust particles collected in the stratosphere. Except for impacts by particles dominated by single minerals such as FeS and olivine, most of the residue compositions are in broad agreement with the major element compositions of chondrites. In most cases the residue is a thin liner on the crater floor and these craters are difficult to quantitatively analyze by EDX techniques because the electron beam excites both residue and underlying metal substrate. In favorable cases, the liner is thick and composed of vesicular glass with imbedded FeNi, sulfide and silicate grains. In the best cases of meteoroid preservation, the crater is lined with large numbers of unmelted mineral grains. The projectiles fragmented into micron sized pieces but the fragments survived without melting. In one case, the grains contain linear defects that appear to be solar flare tracks. Solar flare tracks are common properties of small interplanetary particles and their preservation during impact implies that the fragments were not heated above 600 C. We are investigating the meteoroid fragments in LDEF metal craters to determine the properties of interplanetary dust and to determine if there are meteoroid types that are overlooked or otherwise undetected in cosmic dust collections obtained from the stratosphere and polar ice.

Brownlee, D. E.↗
DOE OSTI2021

Synthesis and Single Crystals of Refractory Oxides of Lanthanides and Thorium

At the completion of this program, we can report that we developed a considerable degree of technical improvements in our ability to perform hydrothermal reactions at high temperatures and pressures. We can now routinely perform reactions at 700-750°C and 200 MPa. Currently we are in the process of exploiting this new technology synthesizing a range of exotic new materials investigating relatively poorly understood materials. Our initial efforts focused on the chemistry of rare earth oxides with tetravalent and pentavalent oxides. We recently published a study of the lanthanides with Nb 5+ and Ta 5+ ions, where we grew oxides such as RENdO 4 and RETaO 4 as high quality single crystals. These compounds were targeted as potential hosts for luminescent and scintillation materials, particularly given that they are among the densest oxide hosts and hence have good potential as absorbers for high energy radiation like X-rays and gamma rays. We also isolated a range of unusual new rare earth tantalates with very complex structures. indicating that the chemistry is very sensitive to conditions. We performed some fairly comprehensive examinations of the solid-state chemistry of rare earth ions with various tetravalent metal ions especially Si 4+ , Ge 4+ , Sn 4+ and Ti 4+ . Given the potential role of rare earth silicates in immobilizing radioactive waste elements in long-term storage, and the similarity of our hydrothermal fluids with known geological conditions, this chemistry continues to be relevant. We prepared an extensive series of new lanthanide germanates (e.g. RE 13 Ge 6 O 31 (OH), BaRE 10 (GeO 4 ) 4 O 8 ). and found that there is there is almost no overlap between the chemistry of the rare earth silicates. Stannic oxide (SnO 2 ) is much more refractory and requires higher temperatures and of mineralizer concentrations. One significant result is the growth of RE 2 Sn 2 O 7 pyrochlore single crystals. These are of interest because the rare earth stannate pyrochlores are known to display a wide range of magnetic frustration such as spin ice behavior. We grew high quality single crystals of rare earth germanate and stannate pyrochlores and this led to a collaboration with Professor Kate Ross at Colorado State. Preliminary measurements, indicate that the crystals contain no detectable defects or site disorder. Initial neutron diffraction on single crystals was performed at Oak Ridge, and more detailed experiments involving the Ross group are underway at both NIST and ORNL. This particular chemistry has turned out to be the most potentially significant work on this project and the collaborative effort with Prof. Ross is the topic of a DoE renewal project on quantum materials. Our initial foray into the hydrothermal chemistry of rare earth titanates has also been very promising and a range of cubic and polar ferroic phases of the light rare earths RE 2 Ti 2 O 7 (RE = La - Pr) in the P2 1 phase. We also discovered an interesting new phase Ce 2 Ti 4 O 11 that can have implications in heavy metal immobilization and storage. along with a series of new rare earth titanates (La 5 Ti 4 O 15 (OH) Sm 3 TiO 5 (OH) 3 and Lu 5 Ti 2 O 11 (OH) with exceptionally complex structures. One interesting sidelight has been high temperature hydrothermal chemistry terbium, including the growth of large crystals of TbO(OH). This is not a new compound but it is the first time it has been grown as large single crystals. The Tb atom density is almost as high as that in Tb 2 O 3 and has a very high Verdet constant (ca. 70), making it a very attractive candidate as a Faraday rotator. Unfortunately it is not in a cubic structure but he material is hard, stable, pure and inexpensive, so should still be an attractive Faraday oscillator. We recently received a patent on this material. We also synthesized K 2 Tb(Ge 2 O 7 ) containing stable octahedral Tb 4+ ions, which appears to be the first example of a well-characterized Tb 4+ complex. Given that Tb 4+ has been proposed as a benign surrogate for more treacherous tetravalent ions such as Cf 4+ and Bk 4+ , we think that Tb 4+ silicates can be a particularly useful study for actinide immobilization and related work. We also began reaction studies with rare earths and both ReO 2 and RuO 2 . These resulted in large single crystals of species like RE 5 Ru 2 O 12 , RE 4 Re 2 O 11 , REReO 4 and RE 2 ReO 5 . Several of these samples have already been sent to ORNL for magnetic and neutron diffraction studies.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Exploring Responses of Contact Kelvin Probe Force Microscopy in Triple-Cation Double-Halide Perovskites

Hybrid organic–inorganic perovskite (HOIP) solar cells have undergone unprecedentedly rapid improvement in power conversion efficiencies during the last decade, but controversy remains regarding the role of local phenomena and heterogeneity in grain by grain. These challenges in turn necessitate understanding the fundamental mechanisms operating at individual grains and exploring how these mechanisms give rise to the collective behaviors of the films. Although numerous efforts have targeted local phenomena in these materials using classical scanning probe microscopy modalities, the measurements remain difficult to interpret due to intrinsic coupling between possible ferroelectric, ion migration, bulk and surface electrochemical phenomena, and the effects of light on these behaviors. Here, we explore the electromechanical responses in (Cs 0.05 FA 0.85 MA 0.15 )Pb(I 0.85 Br 0.15 ) 3 perovskite thin film in the dark and under illumination using band excitation-piezoresponse force microscopy (BE-PFM). To identify and separate ferroic, electrostatic, and electrochemical responses, we utilize contact-Kelvin probe force microscopy (cKPFM). The cKPFM responses show weak variability with morphological features in the dark, while such variability significantly increases under illumination. Deconvolution of the cKPFM responses via principal component analysis (PCA) shows heterogeneity in grain to grain possibly due to variation in migration and segregation of halide ions in mixed perovskites at specific grains. Further, we propose an electrostatic mechanism based on the physics of semiconductors, which can directly link the observed cKPFM behaviors with the ionic and electronic density of states (DOS) and their time dynamics. Here, these findings suggest that cKPFM is a powerful probe of local ionic behaviors on the nanoscale, both in HOIPs and other materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗