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NASA NTRS1971

Subsurface discontinuity detection by microwave radiometry.

Brief description of a joint program undertaken near Austin and San Antonio, Tex., to detect the presence of subsurface voids such as caverns and tunnels by microwave radiometry. Mi crowave radiometric temperature measurements using both vertical and horizontal polarization were taken with fixed-view angle traverses across three sites at two locations. No unambiguous correlation between the microwave temperature contours and the subsurface voids was observed at either location, but a correlation between microwave temperature and moisture patterns was observed at both locations. The large microwave temperature anomalies observed at all three sites indicated a sensitivity to near-surface structure and moisture distribution. A close correlation was noted between low soil-bearing strength values and the tunnel location at the San Antonio site.

Hruby, R. J.↗

NASA NTRS1985

Small-scale cyclones on the periphery of a Gulf Stream warm-core ring

Small-scale cyclones found around Gulf Stream warm-core ring 82B are investigated by using infrared satellite images and current information obtained with an acoustic-Doppler velocimeter. Currents in these cyclones reveal speeds ranging from 20 to 80 cm/s. One small cyclone or 'ringlet' found in June 1982 was studied extensively by removing the basic rotational velocities of 82B. The azimuthal velocity field for this ringlet was used with the gradient current equation to calculate the absolute dynamic topography at 100 dbar. It was found that the ringlet was 13 dyn-cm lower than its surroundings. In addition, neglect of the centrifugal term would have changed the dynamic topography of the ringlet by 30 percent. From a comparison with CTD data the absolute reference level was determined, and a vertical profile of horizontal currents was calculated for the ringlet. Other cyclones were found throughout the slope water region around warm-core ring 82B with observable lifetimes of 1 to 2 weeks. The northeast quadrant of 82B was a favored generation site for ringlets. Two cyclones were observed to form in this region and were advected anticyclonically around 82B. Typically, at any one time, six cyclones with diameters of approximately 40 to 50 km can be detected north of the Gulf Stream by using satellite images.

Kennelly, M. A.↗

NASA NTRS2018

Corrosion of Bare Carbon Steel as a Passive Sensor to Assess Moisture Availability for Biological Activity in Atacama Desert Soils

In this work we suggest the corrosion of polished bared metal coupons as a passive sensor to detect or identify the lower limit of water availability that could be suitable for biological activity in the Atacama Desert on soil or solid substrates. For this purpose, carbon steel coupons were deposited in selected sites along a west-east transect and removed at predetermined times for morphological inspection. The advantage of this procedure is that the attributes of the oxide layer (corrosion extent, morphology and oxide phases) can be considered as a fingerprint of the atmospheric moisture history at a given time interval. Two types of coupons were used, a long rectangular shape that are half-buried in a vertical position, and square shape that are deposited on the soil surface. The morphological attributes observed by SEM inspection is correlated to the so-called humectation time which is determined from local meteorological parameters. The main result is that the decreasing trend of atmospheric moisture along the transect is closely related to corrosion behavior and water soil penetration. For instance, while in the coastal site oxide phases formed on the coupon surface rapidly evolve to well- crystallized species, in the driest inland site Lomas Bayas only amorphous oxide is observed.

Caceres, Luis↗

NASA NTRSDate not supplied

Lower Illinois River Valley Ecological Forecasting: Inundation Mapping of the Lower Illinois River Valley Using Synthetic Aperture Radar and Optical Satellite Imagery for Wetland Conservation and Restoration Prioritization Efforts

The Lower Illinois River Valley (LIRV) is home to some of the richest agricultural lands in the United States and its wetlands provide key ecosystem services like clean water and flood reduction. It has also experienced extensive degradation due to development and urban pollution. The Great Rivers Land Trust (GRLT), the National Great Rivers Research & Education Center, Principia College, and the American Geophysical Union’s (AGU) Thriving Earth Exchange sought to incorporate inundation and surface water extent layers into their geodatabases to more accurately identify priority areas for wetland restoration. This project aimed to determine the feasibility of detecting inundation extent and duration along the valley using remotely sensed data. The team used Sentinel-1 C-band Synthetic Aperture Radar (SAR) data to classify open water and inundated vegetation within the study site. The open water classification was compared to Dynamic Surface Water Extent (DSWE) derived from Landsat 8 Operational Land Imager. The team successfully created layers of inundation minimum and maximum extent, as well as inundation duration across the study area for 2019 and 2020. The open water classification resulted in an overall accuracy of 86% when validated against DSWE classifications. These analyses will help end users to identify high priority areas along the LIRV best suited for land conversion projects in the future.

Vanessa Machuca↗

DOE OSTI2025

Smartphone application for visualizing building air leakage

Annually, unwanted air leakage through building envelopes accounts for 4 quads of energy consumption in the United States, which translates to about 10% of total building energy consumption. Locating and sealing leakage sites is crucial fordecreasing building energy consumption. Smartphones are ubiquitous and contain sophisticated cameras and highperformance processors that could be employed to visualize air leakage using the background-oriented schlieren imaging technique, making leak detection cheaper and easier. This technique requires a textured and high-contrast background such as a brick or concrete masonry unit wall, a building air leak that has a temperature difference compared with the ambient air, and an imaging system. This work focuses on using smartphones as the imaging system to visualize air leakages. The paper discusses application development and the results of testing to determine leakage visualization performance as a function of leak temperature. The results show that leaks with a temperature difference greater than 16°C compared with the ambient air temperature were visualized using existing smartphones.

Boudreaux, Philip [ORNL] (ORCID:0000000229564665)↗

NASA NTRS2002

Rationally designed fluorescently labeled sulfate-binding protein mutants: evaluation in the development of a sensing system for sulfate

Periplasmic binding proteins from E. coli undergo large conformational changes upon binding their respective ligands. By attaching a fluorescent probe at rationally selected unique sites on the protein, these conformational changes in the protein can be monitored by measuring the changes in fluorescence intensity of the probe which allow the development of reagentless sensing systems for their corresponding ligands. In this work, we evaluated several sites on bacterial periplasmic sulfate-binding protein (SBP) for attachment of a fluorescent probe and rationally designed a reagentless sensing system for sulfate. Eight different mutants of SBP were prepared by employing the polymerase chain reaction (PCR) to introduce a unique cysteine residue at a specific location on the protein. The sites Gly55, Ser90, Ser129, Ala140, Leu145, Ser171, Val181, and Gly186 were chosen for mutagenesis by studying the three-dimensional X-ray crystal structure of SBP. An environment-sensitive fluorescent probe (MDCC) was then attached site-specifically to the protein through the sulfhydryl group of the unique cysteine residue introduced. Each fluorescent probe-conjugated SBP mutant was characterized in terms of its fluorescence properties and Ser171 was determined to be the best site for the attachment of the fluorescent probe that would allow for the development of a reagentless sensing system for sulfate. Three different environment-sensitive fluorescent probes (1,5-IAEDANS, MDCC, and acylodan) were studied with the SBP171 mutant protein. A calibration curve for sulfate was constructed using the labeled protein and relating the change in the fluorescence intensity with the amount of sulfate present in the sample. The detection limit for sulfate was found to be in the submicromolar range using this system. The selectivity of the sensing system was demonstrated by evaluating its response to other anions. A fast and selective sensing system with detection limits for sulfate in the submicromolar range was developed. Copyright 2002 Wiley Periodicals, Inc. Biotechnol Bioeng 78: 517-526, 2002.

Evaluation Studies↗

DOE OSTI2025

Real-Time, Adaptive Radiological Anomaly Detection and Isotope Identification Using Non-Negative Matrix Factorization

Spectroscopic anomaly detection and isotope identification algorithms are integral components in nuclear nonproliferation applications such as search operations. The task is especially challenging in the case of mobile detector systems because the observed gamma-ray background changes more than for a static detector system, and a pretrained background model can easily find itself out of domain. The result is that algorithms may exceed their intended false alarm rate or sacrifice detection sensitivity to maintain the desired false alarm rate. Non-negative matrix factorization (NMF) is a powerful tool for spectral anomaly detection and identification, but, like many similar algorithms that rely on data-driven background models, in its conventional implementation, it is unable to update in real time to account for environmental changes that affect the background spectroscopic signature. Here, we have developed a novel NMF-based algorithm that periodically updates its background model to accommodate changing environmental conditions. The adaptive NMF algorithm involves fewer assumptions about its environment, making it more generalizable than existing NMF-based methods while maintaining or exceeding detection performance on simulated and real-world datasets.

Anomaly detection↗

NASA NTRS2006

"Suzaku Highlight Results on Supernova Remnants"

Highlights of the early Suzaku (formerly Astro-E2) observations of supernova remnants are presented. Suzaku offers unique capabilities for the study of supernova remnants. The unprecedented combination of imaging and spectral resolution below 1 keV in the X-ray Imaging Spectrometer (XIS) makes possible mapping of C, N and O abundances in Galactic remnants of all ages. The first detection of carbon lines in the Cygnus Loop and mapping of the O VII to O VIII ratio in SN 1006 demonstrate this capability. The XIS sensitivity to soft, low surface brightness emission is exemplified by spectroscopy in the 0.3-1.0 keV band of the North Polar Spur and other Galactic ISM structures. Such observations make possible inferences about plasma conditions and abundances. The sensitivity above 6 keV via a combination of the XIS (below 10 keV) and the Hard X-ray Detector (above 10 keV) allows broad band (2-40 keV) spectroscopy and mapping of extended remnants with hard emission components. These components are generally associated with sites of particle acceleration, and measuring their spectral shape potentially provides information about the TeV electron population and its acceleration and energy loss mechanisms. Examples of such remnants observed by Suzaku are the non-thermal emission dominated remnants RX J1713.7-3946 and RX J0852.0-4622, for which flux beyond 30 keV has been detected. The status of the mission and prospects for future groundbreaking observations of supernova remnants will be discussed.

Petre, Robert↗

DOE OSTI2023

Resolving metal binding properties within subunits of a multimeric enzyme Mnx by surface induced dissociation and native ion mobility mass spectrometry

Multi-subunit enzymes function as coordinated assemblies. Yet most enzymatic assays measure the summed output of all populations in solution and cannot easily differentiate contributions of individual subunits. Native mass spectrometry detects intact protein complexes in the gas phase. Surface induced dissociation further releases subunits from protein complexes while retaining compact conformations and bound ligands. Combined with ion mobility, the released subunits can then be carefully monitored for more in-depth structural analysis. Mnx is a unique bacterial multicopper oxidase complex that oxidizes Mn(II) to form MnO 2 minerals, and is composed of three subunits: MnxG, a multicopper oxidase containing the active site, and two accessory proteins, MnxE and MnxF which also bind copper ions. Other known multicopper oxidases do not require accessory proteins, therefore the functions of MnxE and MnxF are not well understood. Here, we use native mass spectrometry with surface induced dissociation and ion mobility to characterize the metal binding properties of Mnx with two metals, catalytic Cu(II) and Mn(II) substrate. We demonstrate our assay can detect subtle structural changes within each subunit, which are presumably related to the allosteric mechanism. We also noticed that ionic strength and solution composition can impact metal binding and must be carefully investigated for such experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Semi-automatic image annotation using 3D LiDAR projections and depth camera data

Efficient image annotation is necessary to utilize deep learning object recognition neural networks in nuclear safeguards, such as for the detection and localization of target objects like nuclear material containers (NMCs). This capability can help automate the inventory accounting of different types of NMCs within nuclear storage facilities. The conventional manual annotation process is labor-intensive and time-consuming, hindering the rapid deployment of deep learning models for NMC identifications. This paper introduces a novel semi-automatic method for annotating 2D images of nuclear material containers (NMCs) by combining 3D light detection and ranging (LiDAR) data with color and depth camera images collected from a handheld scan system. The annotation pipeline involves an operator manually marking new target objects on a LiDAR-generated map, and projecting these 3D locations to images, thereby automatically creating annotations from the projections. The semi-automatic approach significantly reduces manual efforts and the expertise in image annotation that is required to perform the task, allowing deep learning models to be trained on-site within a few hours. The paper compares the performance of models trained on datasets annotated through various methods, including semi-automatic, manual, and commercial annotation services. The evaluation demonstrates that the semi-automatic annotation method achieves comparable or superior results, with a mean average precision (mAP) above 0.9, showcasing its efficiency in training object recognition models. Additionally, the paper explores the application of the proposed method to instance segmentation, achieving promising results in detecting multiple types of NMCs in various formations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2022

Scintillation light detection in the long-drift ProtoDUNE-DP liquid argon TPC

ProtoDUNE-DP is a 6 × 6 × 6m$^{3}$ liquid argon time-projection-chamber (LArTPC) operated at the Neutrino Platform at CERN in 2019-2020 as a prototype of the DUNE Far Detector. DUNE is a dual-site experiment for long-baseline neutrino oscillation studies, neutrino astrophysics and nucleon decay searches. The light signal in these detectors is crucial to provide precise timing capabilities. In ProtoDUNE-DP, scintillation light produced by cosmic muons in the LArTPC is collected by the photomultiplier tubes (PMTs) placed up to 7 m away from the point of interaction. The scintillation light production and propagation processes are analyzed and compared to simulations, improving the understanding of some liquid argon properties.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Trace explosive residue detection of HMX and RDX in post-detonation dust from an open-air environment

Explosives are often used in industry, geology, mining, and other applications, but it is not always clear what remains after a detonation or the fate and transport of any residual material. The goal of this study was to determine to what extent intact molecules of high explosive (HE) compounds are detectable and quantifiable from post-detonation dust and particulates in a field experiment with varied topography. We focused on HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocane), which is less studied in field detonation literature, as the primary explosive material and RDX (1,3,5-Trinitroperhydro-1,3,5-triazine) as the secondary material. The experiment was conducted at Site 300, Lawrence Livermore National Laboratory’s Experimental Test Site, in California, USA. Two 20.4 kg and one 40.8 kg above ground explosions (primarily comprised of LX-14, an HMX-based polymer-bonded high explosive) were detonated on an open-air firing area on separate days. The complex terrain of the firing area (e.g., buildings, berm, low-height obstacles) was advantageous to study HE deposition in relation to plume dynamics. Three types of samples were collected up to 100 m away from each shot: surface swipes of aluminum plates, surface swipes of fixed objects, and filters from air samples. We used atmospheric flow tube-mass spectrometry (AFT-MS) to quantify picogram levels of molecular residue of HE material in the post-detonation dust. An aliquot of sample extract in methanol (e.g., 1 µL of 0.5 mL) was placed onto a resistive material and then thermally desorbed into the AFT-MS. We successfully detected and quantified both HMX and RDX in many of the samples. Based on mass (pg) detected and solution dilution, we back-calculated the mass collected on the swipe or filter (ng per sample). The aerial distribution of molecular residue was consistent with the path of the plume, which was strongly determined by wind speed and direction at the time of each shot. The quantity of material detected appeared to correlate more with distance from the shot and the wind conditions than with shot size. This study demonstrates that the picogram detection levels of AFT-MS are well-suited for quantification of analytes (e.g., HMX and RDX) in environmental samples.

atmospheric flow tube-mass spectrometry (AFT-MS), ↗

DOE OSTI2024

Effect of Adsorbed Carboxylates on the Dissolution of Boehmite Nanoplates in Highly Alkaline Solutions

Understanding the dissolution of boehmite in highly alkaline solutions is important to the processing of the complex nuclear wastes stored at the Hanford (WA) and Savannah River (SC) sites. Here, we report the adsorption of model carboxylate anions on boehmite nanoplates in alkaline solutions and their effects on subsequent boehmite dissolution in 3 M NaOH at 80 °C. Although expectedly lower than at circumneutral pH, adsorption of oxalate at pH 13 at room temperature was significant and remained so through a linear decrease to 3 M NaOH conditions with no evidence for the appearance of new phases. Modeling of the adsorption data and rate were consistent with the formation of outer-sphere surface complexes. By using these conditions to preload the boehmite nanoplates with oxalate, and separately acetate, we measured and compared their dissolution behavior at 80 °C and observed a clear suppression of the dissolution rate for the case of adsorbed oxalate by 23% and for adsorbed acetate by 10% compared to pure solids. Ex situ scanning electron microscopy (SEM) and transmission electron microscopy (TEM) characterization revealed no detectable difference in the morphologic evolution of the dissolving boehmite materials. In conclusion, we nonetheless conclude that pre-adsorbed carboxylate anions, even as nominally weakly bound outer-sphere complexes, can persist on the surface through highly alkaline conditions, decreasing the density of dissolution-active sites and thereby adding an extrinsic control on the dissolution rate.

Adsorption kinetics↗

DOE OSTI2026

Economic assessment of seismic monitoring for underground hydrogen storage

Underground hydrogen storage (UHS) plays a key role in the energy landscape. However, like other subsurface engineering technologies, UHS may cause leakage into the groundwater or atmosphere and possibly induce local seismicity. To reduce these risks, seismic monitoring could be a viable technique to track the UHS plume, detect leakages, and locate induced seismicity events. Seismic monitoring has been proposed to safely monitor UHS, but research in this area is still new and requires field studies. Lab and theoretical studies have demonstrated the validity of seismic monitoring for UHS. Therefore, it is imperative to analyze the economic feasibility of seismic monitoring for UHS. Hence, we develop a cost model and open-source Python code for seismic monitoring that considers types of seismometers, comprehensive operational scenarios, detection thresholds, and long-term leakage monitoring. A case study is further provided to validate the cost model on reservoir simulations of UHS. We find that the levelized cost for a 10-year operating UHS site will range on the order of ∼0.003 $\$$/kg. The methods developed in this study could also be applied to the monitoring of groundwater, gas, and/or wastewater injection.

08 HYDROGEN↗

DOE OSTI2025

Human in vitro metabolism of an environmental mixture of polycyclic aromatic hydrocarbons (PAH) found at the Portland Harbor Superfund Site

Polycyclic aromatic hydrocarbons (PAHs) are widespread environmental contaminants that pose health risks to humans. Toxicity testing approaches of PAHs have evolved from traditional rodent models to New Approach Methodologies (NAMs), such as high-throughput screening in zebrafish, enabling rapid evaluation of chemical hazards. However, translating toxicity findings from laboratory systems to humans remains difficult due to complexity and species-specific differences. Chemical dosimetry modeling offers a quantitative framework to bridge this gap, but its accuracy depends on robust knowledge of PAH metabolism. The objective of this study was to measure human metabolism rates of Supermix-10, the ten most abundant PAHs found at the Portland Harbor Superfund Site, to support development of human pharmacokinetic models. We incubated individual PAHs from Supermix-10 in pooled human liver microsomes and quantified parent PAH disappearance using high-performance liquid chromatography (HPLC) with UV and florescent detection. To assess the potential of mixture interactions, we also measured metabolism of all 10 compounds in an equimolar mixture and compared rates of parent disappearance to those observed for individual PAHs. All Supermix-10 PAHs demonstrated rapid parent compound disappearance in human hepatic microsomes. PAHs grouped into three metabolism patterns: high metabolism rates and capacity (2-methylnaphthalene, acenaphthylene, fluorene, naphthalene), high affinity metabolism that rapidly achieves low-level saturation (benzo[a]anthracene, chrysene), and moderate metabolism rates and capacity (fluoranthene, pyrene, retene, phenanthrene). Smaller PAHs exhibited faster metabolism, and higher metabolism rates correlated inversely with molecular weight. When incubated in an equimolar mixture, Supermix-10 demonstrated significantly slower metabolism (47–89 %) compared to metabolism of individual PAHs at the same concentration. These findings enhance our understanding of PAH metabolism in humans and demonstrate significant mixture interactions under the conditions tested. Furthermore, our findings offer insights into the metabolic behavior of Supermix-10 and provide critical metabolism rate data to support the development of physiological based pharmacokinetic (PBPK) models. Dosimetry models can translate PAH chemical dosimetry from high-throughput testing platforms, like zebrafish and cellular system assays, to human exposures enhancing the accuracy and reliability of PAH risk assessments.

2-methylnaphthalene↗

DOE OSTI2022

Surface Immobilization of a Re(I) Tricarbonyl Phenanthroline Complex to Si(111) through Sonochemical Hydrosilylation

A sonochemical-based hydrosilylation method was employed to covalently attach a rhenium tricarbonyl phenanthroline complex to silicon(111). fac-Re(5-(p-Styrene)-phen)(CO) 3 Cl (5-(p-styrene)-phen = 5-(4-vinylphenyl)-1,10-phenanthroline) was reacted with hydrogen-terminated silicon(111) in an ultrasonic bath to generate a hybrid photoelectrode. Subsequent reaction with 1-hexene enabled functionalization of remaining atop Si sites. Attenuated total reflectance–Fourier transform infrared spectroscopy confirms attachment of the organometallic complex to silicon without degradation of the organometallic core, supporting hydrosilylation as a strategy for installing coordination complexes that retain their molecular integrity. Detection of Re(I) and nitrogen by X-ray photoelectron spectroscopy (XPS) further support immobilization of fac-Re(5-(p-styrene)-phen)(CO) 3 Cl. Cyclic voltammetry and electrochemical impedance spectroscopy under white light illumination indicate that fac-Re(5-(p-styrene)-phen)(CO) 3 Cl undergoes two electron reductions. Mott–Schottky analysis indicates that the flat band potential is 239 mV more positive for p-Si(111) co-functionalized with both fac-Re(5-(p-styrene)-phen)(CO) 3 Cl and 1-hexene than when functionalized with 1-hexene alone. XPS, ultraviolet photoelectron spectroscopy, and Mott–Schottky analysis show that functionalization with fac-Re(5-(p-styrene)-phen)(CO) 3 Cl and 1-hexene introduces a negative interfacial dipole, facilitating reductive photoelectrochemistry.

X-ray photoelectron spectroscopy↗

DOE OSTI2022

Size-Dependent Characteristics of Surface-Rooted Three-Dimensional Convective Objects in Continental Shallow Cumulus Simulations

A segmentation algorithm is applied to high resolution simulations of shallow continental convection to identify individual convective 3D objects within the convective boundary layer, in order to investigate which properties of the objects vary with the object width. The study analyses the geometry of the objects, along with their profiles of vertical velocity and total water, to assess various assumptions often used in spectral mass-flux convection schemes. The methodology of this paper is unique in that we use (a) a novel application of the watershed algorithm to detect individual objects in the constantly evolving continental boundary layer efficiently, and (b) an unprecedentedly large number of simulations being analyzed. In total, 26 days of LASSO simulations at the Atmospheric Radiation Measurement Southern Great Plains site are analyzed, yielding roughly one million objects. Plume-like surface-rooted objects are found to be omnipresent, the vertical extent of which is strongly dependent on the object width. The vertical velocity and moisture anomaly profiles of the widest objects are roughly consistent with the classic buoyancy-driven rising plume model. The kinematic and thermodynamic properties of the objects vary with object width. This width dependence is strongest above cloud base, but much weaker below. Finally the impact of neglecting the contribution of covariances to the vertical moisture flux, which is commonly used in mass-flux parameterizations, is investigated. The average effect of neglecting covariances increases linearly with object width, leading to a 20% flux underestimation for 2 km wide objects. Implications of the results for spectral convection scheme development are briefly discussed.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Direct momentum imaging of charge transfer following site-selective ionization

We study ultrafast charge rearrangement in dissociating 2-iodopropane (2-C 3 H 7 I) using site-selective core-ionization at the iodine atom. Clear signatures of electron transfer between the neutral propyl fragment and multiply charged iodine ions are observed in the recorded delay-dependent ion momentum distributions. The detected charge transfer pathway is only favorable within a small (few angstrom), charge-state-dependent spatial window located at C-I distances longer than that of the neutral ground-state molecule. Lastly, these results offer new insights into the physics underpinning charge transfer in isolated molecules and pave the way for a new class of time-resolved studies.

74 ATOMIC AND MOLECULAR PHYSICS↗