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DOE OSTI2026

Beyond Contrast Transfer: Spectral SNR as a Finite-Dose Metric for STEM Phase Retrieval

The contrast transfer function (CTF) is widely used to evaluate phase retrieval methods in scanning transmission electron microscopy (STEM), including center-of-mass imaging, parallax imaging, direct ptychography, and iterative ptychography. However, the CTF reflects only the maximum usable signal, neglecting the effects of finite electron fluence and the Poisson-limited nature of detection. As a result, it can significantly overestimate practical performance, especially in low-dose regimes. Here, we employ the spectral signal-to-noise ratio (SSNR), as a finite-dose statistical framework to evaluate the recoverable signal as a function of spatial frequency. Using numerical reconstructions of white-noise objects, we show that center-of-mass, parallax, and direct ptychography exhibit dose-independent SSNRs, with close-form analytic expressions. In contrast, iterative ptychography exhibits a surprising dose dependence: at low fluence, its SSNR converges to that of direct ptychography; at high fluence, it saturates at a value consistent with the maximum detective quantum efficiency predicted by recent quantum Fisher information bounds. The results highlight the limitations of CTF-based evaluation and motivate SSNR as a more accurate, finite-dose metric for assessing STEM phase retrieval methods.

STEM phase retrieval↗

DOE OSTI2025

Direct structural retrieval from gas-phase ultrafast diffraction data using a genetic algorithm

Ultrafast scattering techniques such as ultrafast electron diffraction and ultrafast x-ray diffraction have been utilized to elucidate the structural dynamics, reaction intermediates, and final products in molecular reactions following photoexcitation. The time-dependent structures are typically not directly retrieved from the experimental data, but they rely on comparison with calculations. The genetic algorithm (GA), a global optimization strategy, can be used to retrieve the molecular structures directly from diffraction patterns without any theoretical input. However, the robustness of the GA with respect to real experimental conditions such as a limited momentum transfer range, noise, and artifacts has not been studied in detail. In this work, we characterize the performance of the GA with simulated data that mimic realistic experimental conditions. We have developed and implemented a variant of the GA specific to diffraction measurements which performs better in the presence of imperfect data compared to the standard implementation of the GA. We demonstrate this method with both synthetic data and experimental ultrafast electron diffraction data on the UV-induced photodissociation of trifluoroiodomethane (C⁢F 3⁡ I) molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2026

Adaptively coupled phase retrieval in multi-peak Bragg coherent diffraction imaging

Recent advances in Bragg coherent diffraction imaging (BCDI) experimental techniques permit routine measurement of multiple Bragg peaks from a single crystalline grain. The resulting images contain the full lattice distortion vector field which can be differentiated to provide lattice strain and rotation. With the advent of fourth-generation synchrotron light sources, such multi-peak datasets are produced at high rates, facilitating the need for rapid phase retrieval of the multiple peaks and subsequent image analysis. Here we describe and demonstrate a new implementation of a coupled phase retrieval technique for multi-peak BCDI which simultaneously treats each Bragg peak of the dataset and produces a three-dimensional image of the crystal's morphology and lattice distortion field. In addition, this method uses the redundant information contained in the various Bragg diffraction patterns to detect and suppress spurious signal appearing on the detector in a subset of the measurements. Compared with manual data editing, adaptive coupling produces a more consistent phase profile in reciprocal space and sharper surfaces in direct space, with no significant difference in computational cost. These improvements reduce the need for manual preprocessing and enable robust high-throughput analysis of multi-peak BCDI data, supporting near-real-time strain microscopy at modern synchrotron facilities.

36 MATERIALS SCIENCE↗

NASA NTRS2000

Strategy building software for atmospheric retrievals

Atmospheric retrieval consists of a series of the scientific algorithms performed to retrieve the actual state of the atmosphere in terms of its temperature and chemical consituents.

software atmospheric retrieval↗

NASA NTRS2008

Validation of AIRS Retrievals of CO2 via Comparison to In Situ Measurements

Topics include AIRS on Aqua, 2002-present with discussion about continued operation to 2011 and beyond and background, including spectrum, weighting functions, and initialization; comparison with aircraft and FTIR measurements in Masueda (CONTRAIL) JAL flask measurements, Park Falls, WI FTIR, Bremen, GDF, and Spitsbergen, Norway; AIRS retrievals over addition FTIR sites in Darwin, AU and Lauder, NZ; and mid-tropospheric carbon dioxide weather and contribution from major surface sources. Slide titles include typical AIRS infrared spectrum, AIRS sensitivity for retrieving CO2 profiles, independence of CO2 solution with respect to the initial guess, available in situ measurements for validation and comparison, comparison of collocated V1.5x AIRS CO2 (N_coll greater than or equal to 9) with INTEX-NA and SPURT;

AIRS↗

NASA NTRS2012

Evaluating Nighttime CALIOP 0.532 micron Aerosol Optical Depth and Extinction Coefficient Retrievals

NASA Cloud Aerosol Lidar with Orthogonal Polarization (CALIOP) Version 3.01 5-km nighttime 0.532 micron aerosol optical depth (AOD) datasets from 2007 are screened, averaged and evaluated at 1 deg X 1 deg resolution versus corresponding/co-incident 0.550 micron AOD derived using the US Navy Aerosol Analysis and Prediction System (NAAPS), featuring two-dimensional variational assimilation of quality-assured NASA Moderate Resolution Imaging Spectroradiometer (MODIS) and Multi-angle Imaging Spectroradiometer (MISR) AOD. In the absence of sunlight, since passive radiometric AOD retrievals rely overwhelmingly on scattered radiances, the model represents one of the few practical global estimates available from which to attempt such a validation. Daytime comparisons, though, provide useful context. Regional-mean CALIOP vertical profiles of night/day 0.532 micron extinction coefficient are compared with 0.523/0.532 micron ground-based lidar measurements to investigate representativeness and diurnal variability. In this analysis, mean nighttime CALIOP AOD are mostly lower than daytime (0.121 vs. 0.126 for all aggregated data points, and 0.099 vs. 0.102 when averaged globally per normalised 1 deg. X 1 deg. bin), though the relationship is reversed over land and coastal regions when the data are averaged per normalised bin (0.134/0.108 vs. 0140/0.112, respectively). Offsets assessed within single bins alone approach +/- 20 %. CALIOP AOD, both day and night, are higher than NAAPS over land (0.137 vs. 0.124) and equal over water (0.082 vs. 0.083) when averaged globally per normalised bin. However, for all data points inclusive, NAAPS exceeds CALIOP over land, coast and ocean, both day and night. Again, differences assessed within single bins approach 50% in extreme cases. Correlation between CALIOP and NAAPS AOD is comparable during both day and night. Higher correlation is found nearest the equator, both as a function of sample size and relative signal magnitudes inherent at these latitudes. Root mean square deviation between CALIOP and NAAPS varies between 0.1 and 0.3 globally during both day/night. Averaging of CALIOP along-track AOD data points within a single NAAPS grid bin improves correlation and RMSD, though day/night and land/ocean biases persist and are believed systematic. Vertical profiles of extinction coefficient derived in the Caribbean compare well with ground-based lidar observations, though potentially anomalous selection of a priori lidar ratios for CALIOP retrievals is likely inducing some discrepancies. Mean effective aerosol layer top heights are stable between day and night, indicating consistent layer-identification diurnally, which is noteworthy considering the potential limiting effects of ambient solar noise during day.

aerosol optical depth↗

NASA NTRS2015

Extending MODIS Deep Blue Aerosol Retrieval Coverage to Cases of Absorbing Aerosols Above Clouds: First Results

Absorbing smoke or mineral dust aerosols above clouds (AAC) are a frequent occurrence in certain regions and seasons. Operational aerosol retrievals from sensors like MODIS omit AAC because they are designed to work only over cloud-free scenes. However, AAC can in principle be quantified by these sensors in some situations (e.g. Jethva et al., 2013; Meyer et al., 2013). We present a summary of some analyses of the potential of MODIS-like instruments for this purpose, along with two case studies using airborne observations from the Ames Airborne Tracking Sunphotometer (AATS; http://geo.arc.nasa.gov/sgg/AATS-website/) as a validation data source for a preliminary AAC algorithm applied to MODIS measurements. AAC retrievals will eventually be added to the MODIS Deep Blue (Hsu et al., 2013) processing chain.

deep blue↗

NASA NTRS2018

Correcting for Trace Gas Absorption When Retrieving Aerosol Optical Depth from Satellite Observations of Reflected Shortwave Radiation

Retrieving aerosol optical depth (AOD) from top-of-atmosphere (TOA) satellite measured radiance requires separating the aerosol signal from the total observed signal. Total TOA radiance includes signal from underlying surface and from atmospheric constituents such as aerosols, clouds and gases. Multispectral retrieval algorithms, such as the dark-target (DT) algorithm that operates upon Moderate Resolution Imaging Spectroradiometer (MODIS, onboard Terra and Aqua satellites) and Visible Infrared Imaging Radiometer Suite (VIIRS, onboard Suomi-NPP) sensors, use wavelength bands in "window" regions. However, while small, the gas absorptions in these bands are non-negligible and require correction. In this paper we use High-resolution TRANsmission (HITRAN) database and Line-by-Line Radiative Transfer Model (LBLRTM) to derive consistent gas corrections for both MODIS and VIIRS wavelength bands. Absorptions from H2O, CO2 and O3 are considered, as well as other trace gases. Even though MODIS and VIIRS bands are "similar", they are different enough that applying MODIS specific gas corrections to VIIRS observations results in an underestimate of global mean AOD (by 0.01), but with much larger regional AOD biases up to 0.07. As recent studies are attempting to create a long-term data record by joining multiple satellite datasets, including MODIS and VIIRS, the consistency of gas correction becomes even more crucial.

Satellite Remote Sensing↗

NASA NTRSDate not supplied

The Dark Target aerosol retrieval algorithm applied to Low Earth Orbit and GEOstationary imagers: progress towards an integrated LEO-GEO view of global aerosol

The relatively simple dark-target (DT) aerosol retrieval algorithm provides products of spectral aerosol optical depth (AOD) from measurements of multi-spectral reflectance in visible, near-infrared and shortwave infrared wavelength bands. Originally developed for Moderate-resolution Imaging Spectroradiometer (MODIS aboard Terra and Aqua) in Low-Earth Orbit (LEO), DT has been ported to Visible Infrared Imaging Suite (VIIRS aboard Suomi-NPP and NOAA-20, also in LEO), to enhanced-MODIS Airborne Simulator (eMAS, on an airborne platform), and now to sensors in GEOstationary orbit (Advanced Himawari Imager - AHI aboard Himawari-8 and Advanced Baseline Imagers – ABI aboard GOES-16 and 17). Together, these new datasets not only extend upon the 20+ year MODIS aerosol record, but also expand the temporal sampling and/or spatial resolution. Between July and October of 2019, NASA participated in two field experiments on opposite sides of the globe. These included FIREX-AQ which focused on fire and smoke in the Western U.S., and then CAMP2EX which targeted aerosol/cloud interactions around the Philippines. We have performed DT aerosol retrievals on all images from all sensors during these three months, validated against ground observations from stationary and mobile sunphotometer sites, and have begun to develop a synergy that represents semi-global observations every half hour. The resulting aerosol products are being used as context and for model assimilation, thus providing the framework for more complete characterization of global aerosol transport and lifecycle. Here, we report on progress, as well as remaining challenges such as data management, computer processing, and accounting for differences between GEO and LEO observation geometry and surface reflectance parameterization.

dark target↗

NASA NTRS2020

Applying Orbital Multi-Angle Photopolarimetric Observations to Study Properties of Aerosols in the Earth's Atmosphere: Implications of Measurements in the 1.378 µm Spectral Channel to Retrieve Microphysical Characteristics and Composition of Stratospheric Aerosols

We analyze the possibilities of orbital photopolarimetric measurements to study properties of aerosols in the Earth's atmosphere. As an example, we consider the case when such measurements are performed within a narrow spectral channel centered at 1.378 µm that allows to retrieve microphysical characteristics of stratospheric aerosols separately from those of tropospheric aerosols. We consider the case of stratospheric aerosols caused by volcanic eruption, and adopt the model of the stratosphere in the form of a homogeneous plane-parallel layer composed of polydisperse spherical particles. We use numerically exact solutions of the vector radiative transfer equation to theoretically simulate measurements carried out at various numbers of scattering angles, including: (i) radiance measurements alone; (ii) polarization measurements alone; and (iii) radiance and polarization measurements together. The results of computations show that the simultaneous use of radiance and polarization measurements at a sufficiently large number of scattering angles enables one to retrieve the optical thickness, effective radius, and refractive index of aerosols with adequate accuracy. We demonstrate how the accuracy of the derived values of the optical parameters of aerosols depends on the accuracy of measurements of the intensity and polarization of the reflected light, optical thickness of aerosol layer itself, effective radius of aerosols, width of the particle size distribution, and number of viewing angles.

Aerosols↗

NASA NTRS2021

Chapter 10: Development of a Precipitation Retrieval Scheme for Cross-track Passive Microwave Sounding Instruments

The measurement of precipitation (snowfall and rainfall) across the globe is of great importance to both science and society. Despite the importance, measurements from surface-based instruments are limited in extent and are generally absent from sparsely populated or inhospitable regions, including over the world’s oceans. Satellite-based observations have the potential to provide the necessary information to generate estimates of precipitation across the whole of the Earth’s surface. However, adequate temporal and spatial sampling is required to capture vagaries of precipitation and it is necessary to exploit all possible satellite (and, where appropriate surface) information. While much research has been carried out into the retrieval of precipitation from observations gathered by conically-scanning passive microwave imagers in previous decades, relatively little has been done to fully utilise the observations from the cross-track scanning passive microwave sounding instruments. This paper will review a number of cross-track precipitation retrieval schemes, together an evaluation of their performance, and future directions.

Precipitation retrievals↗

NASA NTRS2021

Joint cloud water path and rainwater path retrievals from airborne ORACLES observations

This study presents a new algorithm that combines W-band reflectivity measurements from the Airborne Precipitation Radar – third generation (APR-3) passive radiometric cloud optical depth and effective radius retrievals from the Research Scanning Polarimeter (RSP) to estimate total liquid water path in warm clouds and identify the contributions from cloud water path (CWP) and rainwater path (RWP). The resulting CWP estimates are primarily determined by the optical depth input, although reflectivity measurements contribute ∼10 %–50 % of the uncertainty due to attenuation through the profile. Uncertainties in CWP estimates across all conditions are 25 % to 35 %, while RWP uncertainty estimates frequently exceed 100 %. Two-thirds of all radar-detected clouds observed during the ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES) campaign that took place from 2016–2018 over the southeast Atlantic Ocean have CWP between 41 and 168 g/sq. m and almost all CWPs (99 %) between 6 to 445 g/sq. m. RWP, by contrast, typically makes up a much smaller fraction of total liquid water path (LWP), with more than 70 % of raining clouds having less than 10 g/sq. m of rainwater. In heavier warm rain (i.e., rain rate exceeding 40 mm/h or 1000 mm/d), however, RWP is observed to exceed 2500 g/sq. m. CWP (RWP) is found to be approximately 30 g/sq. m (7 g/sq. m) larger in unstable environments compared to stable environments. Surface precipitation is also more than twice as likely in unstable environments. Comparisons against in situ cloud microphysical probe data spanning the range of thermodynamic stability and meteorological conditions encountered across the southeast Atlantic basin demonstrate that the combined APR-3 and RSP dataset enable a robust joint cloud–precipitation retrieval algorithm to support future ORACLES precipitation susceptibility and cloud–aerosol–precipitation interaction studies.

algorithm↗

NASA NTRS2024

Correction of Cloud Optical Thickness Retrievals from Nadir Reflectances in the Presence of 3D Radiative Effects. Part I: Concept and Tests on 3D RT Simulations

3D effects cause substantial underestimation of cloud optical thickness (COT) in airborne and satellite retrievals based on 1D radiative transfer computations (such as in the case of widely used bispectral technique). For a single-layer isolated cloud we propose a simple linear correction of the retrieved COT with the renormalization factor dependent on the cloud’s aspect ratio (the ratio between vertical and horizontal dimensions of the cloud). This is an empirical assumption which we successfully test using synthetic 3D RT data. We introduce a heuristic “block model” of 3D radiative effects and show that the functional form of the renormalization factor is consistent with the process of radiation escape from cloud sides in an essentially 3D geometry. We also extend the block model to the case of single-layer broken cloud field with radiative interaction between the neighboring clouds. In this case the renormalization factor depends also on the distance between clouds.

cloud optical thickness↗

NASA NTRS2025

Local and Regional Diurnal Variability of Aerosol Properties Retrieved by DSCOVR/EPIC UV Algorithm

The diurnal variability of aerosol optical depth retrieved from L1 point satellite radiance measurements closely matches surface observations. Seasonal variability of retrieved single scattering albedo is in good qualitative agreement with equivalent ground-based observations. EPIC aerosol products can be used in the qualitative and quantitative monitoring of extraordinary aerosol events resulting from wildfires and desert dust storms.

Aerosols, Absorption, Satellite retrieval↗

NASA NTRSDate not supplied

Assessment of Cloud Fraction Derived from a New Geostationary Satellite Cloud Retrieval Algorithm for CERES and Progress Towards Cross-platform Continuity

For over two decades The Clouds and the Earth’s Radiant Energy System (CERES) project has produced long-term records of top-of-atmosphere (TOA) and surface irradiances for detecting changes in the Earth’s radiation budget and advancing understanding of how clouds contribute to those changes. Accurate characterization of the spatial and temporal distributions of clouds are a critical component for producing CERES datasets. The CERES Cloud Working Group (CWG) derives cloud properties from both geostationary (GEO) and low-Earth orbit (LEO) satellite sensors in order to provide complete global coverage at hourly temporal resolution. However, the use of multiple sensors to provide this spatiotemporal coverage throughout a long-term record presents some challenges, because the various sensors generally have different spectral band characteristics (e.g., spectral band width and response) and spatial resolution. These differences can result in spatial artifacts at the coverage boundary between two sensors or temporal artifacts when one sensor replaces another in the record. For the upcoming Edition 5 release of CERES products, the CWG is developing cloud retrieval algorithms which utilize only spectral bands common to most modern passive satellite radiometers and account for differences in spectral width and response. The goal with this approach is to provide global cloud properties for CERES with greater cross-platform consistency than the previous Edition 4 products and thus mitigate artifacts which are evident at the interface of two sensors. This study focuses on retrieval of total cloud fraction from various GEO sensors, and we use Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) observations to assess the accuracy of total cloud fraction derived from the various sensors. The Edition 5 cloud mask algorithm depends on estimates of cloud-free TOA spectral radiances to differentiate clear and cloudy conditions, and CALIOP is used to assess the accuracy of those estimates when cloud-free conditions are indeed observed.

CALIOP↗

DOE OSTI2024

Retrieving images from tarnished daguerreotypes using X-ray fluorescence imaging with an X-ray micro beam with tunable energy

We report recent observations using a synchrotron X-ray micro-beam to retrieve images from tarnished 19th century daguerreotypes. We confirm that high quality image can always be retrieved from tarnished plates using Hg L α XRF as long as the bulk of the image particles and their distribution remains intact. We also report results from using tunable tender X-rays (2 - 7 keV) to conduct imaging in high vacuum at energy above the Ag L-edge and the Hg M-edge, extracting images using Ag L α and Hg M α , respectively among others (e.g., S to track corrosion). Images obtained with the surface sensitive total electron yield (TEY) and the bulk sensitive fluorescence yield (FLY) as well as corresponding micro-XANES are reported. Flux tolerance to high intensity X-beam is also explored. These results and their implications for cultural heritage research are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Climatology of the Vertical Profiles of Polarimetric Radar Variables and Retrieved Microphysical Parameters in Continental/Tropical MCSs and Landfalling Hurricanes

Most existing cloud models tend to overestimate the size of cloud ice particles and underestimate their concentration. This emphasizes the need to provide a reliable observational reference to optimize cloud model performance, particularly in areas of high concentration of ice at high altitudes. The dual-polarization radars give the community a unique opportunity to quantify cloud ice with a good accuracy using polarimetric radar retrievals. Here, in this study, we utilize the network of operational WSR-88D radars to build a climatology of the vertical profiles of radar variables, such as radar reflectivity Z, differential reflectivity Z DR , and specific differential phase K DP as well as the radar-retrieved vertical profiles of ice water content (IWC) above the melting layer and liquid water content below it, mean volume diameter D m , and total number concentration N t of ice and liquid particles. Such climatology was created for continental/marine mesoscale convective systems (MCSs) and tropical cyclones including hurricanes. The dataset includes 13 continental MCSs, 10 marine MCSs, and 11 tropical cyclones. Separate statistics of the “background” vertical profiles and the ones associated with high IWC aloft have been obtained in the course of this study. It is shown that continental MCSs exhibit larger size of ice in lower concentration aloft compared to the marine MCSs and especially tropical cyclones/hurricanes. A combination of high KDP and low Z aloft signifies lower D m , higher N t , and often substantial IWC.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A Robust Estimate of Continental-Scale Terrestrial Carbon Sinks Using GOSAT XCO 2 Retrievals

Satellite XCO 2 retrievals could improve the estimates of surface carbon fluxes, but it remains unknown on what scales these estimates are robust. Here, we use the time-dependent Bayesian synthesis top-down method and prior net ecosystem exchanges (NEEs) from 12 terrestrial biosphere models (TBMs) to infer the monthly carbon fluxes of 51 land regions with constraints by GOSAT XCO 2 retrievals. We find that the uncertainty (standard deviation of 12 TBMs) reduction rates (uncertainty reduction rate (URR)) decrease significantly at decreasing spatial scales. On the continental-scale, the mean URR is about 57%, and the annual and seasonal cycle estimates of NEE are rather robust. The evaluation shows that the posterior CO 2 concentrations are significantly improved at the continental scale. Our study suggests that the GOSAT XCO 2 can only promise a robust continental-scale NEE estimate and improving the XCO 2 accuracy is an effective way to achieve robust estimates on smaller scales under current spatial coverage.

58 GEOSCIENCES↗