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At least 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Deep learning-based temporal deconvolution for photon time-of-flight distribution retrieval

The acquisition of the time of flight (ToF) of photons has found numerous applications in the biomedical field. Over the last decades, a few strategies have been proposed to deconvolve the temporal instrument response function (IRF) that distorts the experimental time-resolved data. However, these methods require burdensome computational strategies and regularization terms to mitigate noise contributions. Herein, we propose a deep learning model specifically to perform the deconvolution task in fluorescence lifetime imaging (FLI). The model is trained and validated with representative simulated FLI data with the goal of retrieving the true photon ToF distribution. Its performance and robustness are validated with well-controlled in vitro experiments using three time-resolved imaging modalities with markedly different temporal IRFs. The model aptitude is further established with in vivo preclinical investigation. Overall, these in vitro and in vivo validations demonstrate the flexibility and accuracy of deep learning model-based deconvolution in time-resolved FLI and diffuse optical imaging.

Pandey, Vikas (ORCID:0000000154771095)↗
DOE OSTI2024

Molecular Vision - Multimodal, multitask retrieval of molecular structure from measured signatures for reference-free compound identification

We are currently at risk of generating false conclusions based on limited methods to identify small molecules in biological systems and in chemical forensics. By definition, the chemical structures of novel small molecules have not been determined, let alone measured or synthesized. Currently, unambiguous structure determination of small molecules is constrained by the time and effort needed to isolate compounds and perform de novo structure elucidation using laboratory-based methods, significantly extending the time to inform mitigation strategies. To address this gap, we have developed a deep learning approach to directly map molecular structure to experimental signatures. We aim to unify measurement technologies employed in untargeted small molecule identification studies—such as infrared (IR) spectrometry, tandem mass spectrometry (MS/MS), ion mobility spectrometry-derived collision cross section (CCS)—through use of a multimodal, multitask deep learning architecture. Where existing methods require direct generation of information-rich spectra and/or properties, an inherently difficult task, we will simplify molecular signature-based identification by posing the problem as a recognition or retrieval task. The model is thus presented with relevant endpoints – structure and one or more molecular signatures – and need only determine whether they are semantically related. Thus, our approach offers the following advantages over existing techniques: (i) circumvents difficulties associated with direct generation of molecular signatures from structure and structure from signatures; (ii) incorporates multiple molecular signatures simultaneously, as available, to support identification; and (iii) enables rapid computation of structural embeddings toward broad coverage of known chemical space. Taken together, the approach removes the need to explicitly obtain or compute reference spectra, representing a powerful method for compound identification that requires only experimentally observed signatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Continuous Baseline Microphysical Retrieval (MICROBASE) Value-Added Product Report

This technical report describes the Continuous Baseline Microphysical Retrieval (MICROBASE) Value-Added Product (VAP) produced operationally by the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility. MICROBASE provides a continuous estimate of cloud microphysical properties at ARM fixed observatories and ARM Mobile Facility (AMF) sites. It is designed to run operationally and provide data to the ARM Data Center for scientific distribution. This technical report presents an overview of the VAP as a resource for data users and ongoing records for major updates to these products.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

1FRAME - 1F Fuel Retrieval and Monitoring Experiments [Poster]

The 1FRAME (1F Fuel Retrieval and Monitoring Experiments) project includes collaborative research and development in the area of neutron detection, analysis, and simulations for fuel debris removal at Fukushima Daiichi nuclear power station. Technical advances are needed in all three focus areas to provide technical recommendations on a course of action for fuel debris removal. This work is part of collaborative research and development efforts between the US, Japan, and France.

Fuel Debris Removal↗
DOE OSTI2026

Planetary Boundary-Layer Height (PBLHT) Value-Added Product: Remote-Sensing Retrievals

The planetary boundary layer (PBL) is fundamental to numerous atmospheric processes, including aerosol mixing and transport, cloud evolution, and precipitation formation. A critical parameter in these studies is the PBL height (PBLHT). This vertical depth is essential for characterizing PBL structures in numerical simulations and serves as a primary metric for estimating flux exchanges between the Earth’s surface and the atmosphere. Radiosonde (SONDE) observations provide high-vertical-resolution measurements of temperature and moisture profiles and are widely used to estimate PBLHT (Liu and Liang 2010, Seidel et al. 2010). The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s PBLHT value-added product (VAP) for radiosonde measurements, known as PBLHTSONDE, applies three commonly used methods—the Heffter (1980) method, the Liu and Liang (2010) method, and the bulk Richardson number approach (Seibert et al. 2000)—to derive PBLHT. The PBLHTSONDE VAP operates routinely at ARM observatories and mobile facilities, with data available from the ARM Data Center shortly after sounding observations are collected (Sivaraman et al. 2013). However, radiosonde observations are limited by their low temporal resolution. Most stations launch soundings only twice daily, which constrains the ability to investigate and characterize the temporal evolution of the PBL using radiosonde data alone. The use of continuous remote-sensing observations provides high temporal resolution of PBLHT estimates. These observations include aerosol lidars (Dang et al. 2019, Su et al. 2020), Doppler lidar (DL; Tucker et al. 2009, Krishnamurthy et al. 2021), and water vapor and/or temperature lidars and radiometers (Turner et al. 2014). These observations provide valuable data on the PBL’s thermodynamic properties (e.g., water vapor and/or temperature lidars and radiometers), dynamic properties (e.g., DL), and distribution of tracer substances (e.g., aerosol lidars), all of which can be used to estimate PBLHT. ARM developed PBLHT estimates from the micropulse lidar (MPL; PBLHTMPL), Doppler lidar (PBLHTDL), and combined Raman lidar (RL)/atmospheric emitted radiance interferometer (AERI) thermodynamic profiles (PBLHTTHERMO). Each estimate captures different physical characteristics of the boundary layer—aerosol tracers, vertical velocity turbulence, and thermodynamic structure—and exhibits distinct strengths and limitations depending on the PBL regime and time of day. In addition, the ARM ceilometer (CEIL) provides three potential PBLHT candidates derived from the vendor's built-in algorithm. Building on these individual retrievals, ARM developed the PBLHTBEML VAP, which combines the four remote-sensing-based estimates with ancillary meteorological variables using the machine learning approach of Zhang et al. (2025) to produce a best-estimate PBLHT at 10-minute resolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Chemistry in Retrieved Ryugu Asteroid Samples Revealed by Non-Invasive X-ray Microanalyses: Pink-Beam Fluorescence CT and Tender-Energy Absorption Spectroscopy

The Hayabusa2 space mission recently retrieved 5.4 g of material from asteroid Ryugu, providing the first direct access to pristine material from a carbonaceous asteroid. This study employs a novel combination of non-invasive synchrotron X-ray techniques to examine microscale chemistry (elemental distributions and element-specific chemical speciation and local structure) inside Ryugu grains without physically cutting the samples. Manganese primarily occurs in carbonate: Mn-bearing dolomite with minor earlier ankerite. Iron sulfides present as large single grains and as smaller particles in the finer-grained matrix are both predominantly pyrrhotite. At the 5 μm scale, Fe sulfides do not show the mineralogical heterogeneity seen in many carbonaceous meteorites but exhibit some heterogeneous localized oxidation. Iron is present often as intergrowths of oxide and sulfide, indicating incomplete replacement. Trace selenium substitutes for S in pyrrhotite. Copper is present as Fe-poor Cu sulfide. These results demonstrate multiple episodes of fluid alteration on the parent body, including partial oxidation, and help constrain the sequence or evolution of fluids and processes that resulted in the current grain-scale mineralogical composition of Ryugu materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Retrieving Tarnished Daguerreotype Content Using X-ray Fluorescence Imaging—Recent Observations on the Effect of Chemical and Electrochemical Cleaning Methods

We report a study on the effect of chemical and electrochemical cleaning of tarnished daguerreotypes observed using X-ray fluorescence (XRF) microscopy with a micro-focussed X-ray beam from a synchrotron source. It has been found that, while both techniques result in some success depending on the condition of the plate and the experimental parameters (chemical concentration, voltage, current, etc.) the effect varies, and cleaning is often incomplete. The XRF images using Hg Lα,β at an excitation energy just above the L3 edge threshold produce fine images, regardless of the treatment. This finding confirms previous observations that if the bulk of the image particles remains intact, the surface tarnish has little effect on the quality of the original daguerreotype image retrievable from XRF.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Tropospheric and stratospheric wildfire smoke profiling with lidar: mass, surface area, CCN, and INP retrieval

We present retrievals of tropospheric and stratospheric height profiles of particle mass, volume, surface area, and number concentrations in the case of wildfire smoke layers as well as estimates of smoke-related cloud condensation nuclei (CCN) and ice-nucleating particle (INP) concentrations from backscatter lidar measurements on the ground and in space. Conversion factors used to convert the optical measurements into microphysical properties play a central role in the data analysis, in addition to estimates of the smoke extinction-to-backscatter ratios required to obtain smoke extinction coefficients. The set of needed conversion parameters for wildfire smoke is derived from AERONET observations of major smoke events, e.g., in western Canada in August 2017, California in September 2020, and southeastern Australia in January–February 2020 as well as from AERONET long-term observations of smoke in the Amazon region, southern Africa, and Southeast Asia. The new smoke analysis scheme is applied to CALIPSO observations of tropospheric smoke plumes over the United States in September 2020 and to ground-based lidar observation in Punta Arenas, in southern Chile, in aged Australian smoke layers in the stratosphere in January 2020. These case studies show the potential of spaceborne and ground-based lidars to document large-scale and long-lasting wildfire smoke events in detail and thus to provide valuable information for climate, cloud, and air chemistry modeling efforts performed to investigate the role of wildfire smoke in the atmospheric system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

High-resolution mapping of nitrogen oxide emissions in large US cities from TROPOMI retrievals of tropospheric nitrogen dioxide columns

Satellite-derived spatiotemporal patterns of nitrogen oxide (NOx) emissions can improve accuracy of emission inventories to better support air quality and climate research and policy studies. In this study, we develop a new method by coupling the chemical transport Model-Independent SATellite-derived Emission estimation Algorithm for Mixed-sources (MISATEAM) with a divergence method to map high-resolution NO x emissions across US cities using TROPOspheric Monitoring Instrument (TROPOMI) tropospheric nitrogen dioxide (NO 2 ) retrievals. The accuracy of the coupled method is validated through application to synthetic NO 2 observations from the NASA-Unified Weather Research and Forecasting (NU-WRF) model, with a horizontal spatial resolution of 4 km × 4 km for 33 large and mid-size US cities. Validation reveals excellent agreement between inferred and NU-WRF-provided emission magnitudes (R= 0.99, normalized mean bias, NMB = —0.01) and a consistent spatial pattern when comparing emissions for individual grid cells (R = 0.88 ± 0.06). We then develop a TROPOMI-based database reporting annual emissions for 39 US cities at a horizontal spatial resolution of 0.05° × 0.05° from 2018 to 2021. This database demonstrates a strong correlation (R= 0.90) with the National Emission Inventory (NEI) but reveals some bias (NMB = —0.24). There are noticeable differences in the spatial patterns of emissions in some cities. Our analysis suggests that uncertainties in TROPOMI-based emissions and potential misallocation of emissions and/or missing sources in bottom-up emission inventories both contribute to these differences.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Droplet collection efficiencies inferred from satellite retrievals constrain effective radiative forcing of aerosol–cloud interactions

Abstract. Process-oriented observational constraints for the anthropogenic effective radiative forcing due to aerosol–cloud interactions (ERFaci) are highly desirable because the uncertainty associated with ERFaci poses a significant challenge to climate prediction. The contoured frequency by optical depth diagram (CFODD) analysis supports the evaluation of model representation of cloud liquid-to-rain conversion processes because the slope of a CFODD, generated from joint MODerate Resolution Imaging Spectroradiometer (MODIS)-CloudSat cloud retrievals, provides an estimate of cloud droplet collection efficiency in single-layer warm liquid clouds. Here, we present an updated CFODD analysis as an observational constraint on the ERFaci due to warm rain processes and apply it to the U.S. Department of Energy's Energy Exascale Earth System Model version 2 (E3SMv2). A series of sensitivity experiments shows that E3SMv2 droplet collection efficiencies and ERFaci are highly sensitive to autoconversion, i.e., the rate of mass transfer from cloud liquid to rain, yielding a strong correlation between the CFODD slope and the shortwave component of ERFaci (ERFaciSW; Pearson's R=-0.91). E3SMv2's CFODD slope (0.20 ± 0.04) is in agreement with observations (0.20 ± 0.03). The strong sensitivity of ERFaciSW to the CFODD slope provides a useful constraint on highly uncertain warm rain processes, whereby ERFaciSW, constrained by MODIS-CloudSat, is estimated by calculating the intercept of the linear association between the ERFaciSW and the CFODD slopes, using the MODIS-CloudSat CFODD slope as a reference.

Beall, Charlotte M. (ORCID:0000000311370835)↗
DOE OSTI2022

Comparison of scattering ratio profiles retrieved from ALADIN/Aeolus and CALIOP/CALIPSO observations and preliminary estimates of cloud fraction profiles

The space-borne active sounders have been contributing invaluable vertically resolved information of atmospheric optical properties since the launch of Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) in 2006. To build long-term records from space-borne lidars useful for climate studies, one has to understand the differences between successive space lidars operating at different wavelengths, flying on different orbits, and using different viewing geometries, receiving paths, and detectors. In this article, we compare the results of Atmospheric Laser Doppler INstrument (ALADIN) and Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) lidars for the period from 28 June to 31 December 2019. First, we build a dataset of ALADIN–CALIOP collocated profiles (Δdist<1°; Δtime<6 h). Then we convert ALADIN's 355 nm particulate backscatter and extinction profiles into the scattering ratio vertical profiles SR(z) at 532 nm using molecular density profiles from Goddard Earth Observing System Data Assimilation System, version 5 (GEOS-5 DAS). And finally, we build the CALIOP and ALADIN globally gridded cloud fraction profiles CF(z) by applying the same cloud detection threshold to the SR(z) profiles of both lidars at the same spatial resolution. Before comparing the SR(z) and CF(z) profiles retrieved from the two analyzed lidar missions, we performed a numerical experiment to estimate the best achievable cloud detection agreement CDA norm (z) considering the differences between the instruments. We define CDA norm (z) in each latitude–altitude bin as the occurrence frequency of cloud layers detected by both lidars, divided by a cloud fraction value for the same latitude–altitude bin. We simulated the SR(z) and CF(z) profiles that would be observed by these two lidars if they were flying over the same atmosphere predicted by a global model. By analyzing these simulations, we show that the theoretical limit for CDA$_{norm}^{theor}$(z) for a combination of ALADIN and CALIOP instruments is equal to 0.81±0.07 at all altitudes. In other words, 19 % of the clouds cannot be detected simultaneously by two instruments due to said differences. The analyses of the actual observed CALIOP–ALADIN collocated dataset containing ~78 000 pairs of nighttime SR(z) profiles revealed the following points: (a) the values of SR(z) agree well up to ~3 km height. (b) The CF(z) profiles show agreement below ~3 km, where ~80 % of the clouds detected by CALIOP are detected by ALADIN as expected from the numerical experiment. (c) Above this height, the CDA$_{norm}^{obs}$(z) reduces to ~50 %. (d) On average, better sensitivity to lower clouds skews ALADIN's cloud peak height in pairs of ALADIN–CALIOP profiles by ~0.5±0.6 km downwards, but this effect does not alter the heights of polar stratospheric clouds and high tropical clouds thanks to their strong backscatter signals. (e) The temporal evolution of the observed CDA$_{norm}^{obs}$(z) does not reveal any statistically significant change during the considered period. This indicates that the instrument-related issues in ALADIN L0/L1 have been mitigated, at least down to the uncertainties of the following CDA$_{norm}^{obs}$(z) values: 68±12 %, 55±14 %, 34±14 %, 39±13 %, and 42±14 % estimated at 0.75, 2.25, 6.75, 8.75, and 10.25 km, respectively.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Using optimal estimation to retrieve winds from velocity-azimuth display (VAD) scans by a Doppler lidar

Abstract. Low-powered commercially available coherent Doppler lidar (CDL) wind profilers provide continuous measurement of vertical profiles of wind in the lower troposphere, usually close to or up to the top of the planetary boundary layer. The vertical extent of these wind profiles is limited by the availability of scatterers and thus varies substantially throughout the day and from one day to the next. This makes it challenging to develop continuous products that rely on CDL-observed wind profiles. In order to overcome this problem, we have developed a new method for wind profile retrievals from CDL that combines the traditional velocity-azimuth display (VAD) technique with optimal estimation (OE) to provide continuous wind profiles up to 3 km. The new method exploits the level-to-level covariance present in the wind profile to fill in the gaps where the signal-to-noise ratio of the CDL return is too low to provide reliable results using the traditional VAD method. Another advantage of the new method is that it provides the full error covariance matrix of the solution and profiles of information content, which more easily facilitates the assimilation of the observed wind profiles into numerical weather prediction models. This method was tested using yearlong CDL measurements at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) Central Facility in 2019. Comparison with the ARM operational CDL wind profile product and collocated radiosonde wind measurements shows excellent agreement (R2>0.99) with no degradation in results where the traditional VAD provided a valid solution. In the region where traditional VAD does not provide results, the OE wind speed and wind vector have uncertainties of 3.44 and 4.33 m s−1, respectively. As a result, the new method provides additional information over the standard technique and increases the effective range of existing CDL systems without the need for additional hardware.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A new technique to retrieve aerosol vertical profiles using micropulse lidar and ground-based aerosol measurements

Accurately characterizing the vertical distribution of aerosols and their cloud-forming properties is crucial for understanding aerosol-cloud interactions and their impact on climate. This study presents a novel technique for retrieving vertical profiles of aerosols, cloud condensation nuclei (CCN), and ice nucleating particles (INP) by combining micropulse lidar, radiosonde, and ground-based aerosol measurements. Herein, the technique is applied to data collected by our team at Texas A&M University during the Tracking Aerosol Convection Interactions ExpeRiment (TRACER) campaign. Ground-based aerosol size distribution and CCN counter data are used to estimate the value of the aerosol hygroscopicity parameter, κ. The derived κ, together with Mie scattering theory and the relative humidity profile from the radiosonde, is used to estimate aerosol size growth and the associated increase in backscatter at each altitude. We then correct the lidar backscatter to dry conditions to produce the dry aerosol backscatter coefficient profile. The dry aerosol backscatter coefficient profile is linearly scaled to collocated surface measurements of aerosols, CCN, and INP to produce corresponding vertical profiles. Combining lidar backscatter profiles with aerosol and cloud nucleation measurements leads to a more realistic representation of vertical distributions of aerosol properties. The method could be readily applied to lidar measurements in future field campaigns.

Chen, Bo [Texas A & M Univ., College Station, TX (↗