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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Limits of Detection for EXAFS Characterization of Heterogeneous Single-Atom Catalysts

Single-atom catalysts (SACs), consisting of individual metal atoms dispersed on a support, attract attention due to their unique reactivity, efficient use of precious metals, and precise chemical tunability. Characterization of the metal species is crucial to substantiate structure–function relationships. Authors often use—and referees often require—X-ray absorption spectroscopy (XAS) data to prove the absence of clustered metal (or metal oxide) structures after pre-treatment and under in situ or operando conditions. However, there has been no critical assessment of the limitations of XAS in substantiating such conclusive statements, which is particularly important given the potential outsized influence of minority catalyst structures in dictating catalytic activity. Here, in this article, we quantitatively assess the detection limits of XAS to identify metal (or metal oxide) clusters in samples containing predominantly single atoms by modeling the extended X-ray absorption fine structure (EXAFS) of mixtures of structures. We identified that a significant fraction of clusters can coexist with SAC active sites (e.g., ~10% metallic Pt or ~40% oxidized Pt clusters in Pt/CeO 2 SACs), while eluding detection via EXAFS with any statistical significance. To generalize these conclusions, a descriptor-based screening of bulk metal oxides using a continuous Cauchy wavelet transform was proposed that suggests certain materials for which differentiating atomically dispersed metal species and metal oxide clusters would be infeasible by EXAFS (e.g., ReO x ). Based on this analysis, we suggest best practices for the study of SACs using EXAFS and provide recommendations to ensure that conclusions do not outpace the evidence used to support them. In this rapidly expanding research area, rigorous characterization will lead to greater understanding of the behavior of SACs and ultimately improved catalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Probing individual single atom electrocatalyst sites by advanced analytical scanning transmission electron microscopy

Single atom electrocatalysts (SAEs) are promising next-generation materials for promoting a variety of important reactions, such as the oxygen reduction, nitrogen reduction, and CO 2 reduction reactions. While bulk characterization techniques such as X-ray absorption spectroscopy and Mössbauer spectroscopy have significantly enhanced our understanding of these catalysts, direct probing of individual single metal atom sites at the atomic scale is necessary to understand local variations in the properties of these sites and accelerate design and synthesis of improved SAEs. Aberration-corrected scanning transmission electron microscopy (STEM) has become a powerful tool for providing this type of atomic-scale information about SAE metal sites. These sites are typically unstable under the electron beam, however, which, in combination with conventional acquisition methods and detectors, has limited the type and quantity of information obtainable by spectroscopic STEM techniques. Here, we map multiple individual SAE metal sites in a nitrogen-doped carbon containing atomically dispersed Fe and Re (FeReNC) at the atomic scale by direct electron detection electron energy-loss spectroscopy (EELS). Direct electron detection provides an improved signal-to-noise ratio over conventional scintillator-based detectors and enables detection and real space localization of weak signals. In addition, we demonstrate an automated method for identification of metal atom positions, placement of the probe on these sites, and simultaneous EELS and energy dispersive X-ray spectroscopic (EDS) signal acquisition. This simultaneous acquisition of EELS and EDS provides access to the composition and bonding of a wide range of SAE metal sites. In this study, focusing the probe directly on the metal sites also increases the relevant data acquisition rate by more than an order of magnitude over two-dimensional mapping, enabling improved statistical measurements of site properties. The versatility, sensitivity, and speed that these techniques provide enhances our ability to probe the local elemental and chemical environment of a large number of individual SAE metal site structures at the atomic scale, enabling an improved understanding of the variations in the local properties of these electrocatalysts to be gained. As a result, significantly increased information about individual metal sites will be available to future electrochemical studies through these techniques, accelerating the development of advanced SAEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Elastic-wave sensitivity-guided adaptive seismic survey design for cost-effective monitoring of geological carbon storage

Effective seismic monitoring is essential for verifying CO₂ containment, detecting potential leakage, and optimizing operational decisions in geologic carbon storage. Here, this study presents a time-adaptive, elastic-wave sensitivity-guided framework for designing cost-effective seismic monitoring layouts for tracking CO₂ plume migration. The method is based on elastic-wave sensitivity analysis, which quantifies how variations in subsurface properties impact seismic wavefields. Two complementary design strategies are developed: one based on selecting a fixed number of seismic sources (Method A), and the other based on selecting source–receiver pairs contributing to a fixed fraction of cumulative elastic-wave sensitivity energy (Method B). The optimization workflow to identify source–receiver configurations with the highest detection potential is demonstrated using a hypothetical GCS scenario at the Kimberlina site in California using simulations of elastic-wave sensitivity data at multiple post-injection timesteps. Results show that both strategies adapt to evolving plume geometries and wavefield sensitivities, with Method B offering broader spatial coverage and Method A ensuring simpler deployment. This framework enables site-specific, cost-effective, and risk-informed seismic survey designs, enhancing the ability to monitor CO₂ migration over time in evolving geological environments

58 GEOSCIENCES↗
DOE OSTI2026

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by infrared (IR) action spectroscopy under jet-cooled conditions with selective detection of hydroxyl (OH) radical products. Two distinct •QOOH isomers with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group are identified by comparison with theoretically calculated IR absorption features for multiple conformers, including C–O, ethyl, and O–O torsions of the two isomers. Here, a master-equation analysis is developed and utilized to explore the conformational cooling process and the resultant conformer population distributions of the two isomers. Most of the IR features observed, including those in the strong fundamental and first overtone OH stretch regions as well as weaker combination bands involving OH stretch with torsion or OOH bend, are in good accord with computed anharmonic frequencies for the most populated conformers of the •QOOH_Et isomer. Relatively weak IR features most evident in the fundamental and first overtone OH stretch regions are ascribed to multiple conformers of the less stable •QOOH_Me isomer, along with a weak feature that is uniquely attributed to a combination band involving asymmetric CH 2 stretch and HCH bend of •QOOH_Me.

Chemical reaction jet spectroscopy↗
DOE OSTI2020

Real-time structural motif searching in proteins using an inverted index strategy

Biochemical and biological functions of proteins are the product of both the overall fold of the polypeptide chain, and, typically, structural motifs made up of smaller numbers of amino acids constituting a catalytic center or a binding site that may be remote from one another in amino acid sequence. Detection of such structural motifs can provide valuable insights into the function(s) of previously uncharacterized proteins. Technically, this remains an extremely challenging problem because of the size of the Protein Data Bank (PDB) archive. Existing methods depend on a clustering by sequence similarity and can be computationally slow. We have developed a new approach that uses an inverted index strategy capable of analyzing >170,000 PDB structures with unmatched speed. The efficiency of the inverted index method depends critically on identifying the small number of structures containing the query motif and ignoring most of the structures that are irrelevant. Our approach (implemented at motif.rcsb.org ) enables real-time retrieval and superposition of structural motifs, either extracted from a reference structure or uploaded by the user. Herein, we describe the method and present five case studies that exemplify its efficacy and speed for analyzing 3D structures of both proteins and nucleic acids.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1973

Census cities experiment in urban change detection

The author has identified the following significant results. Work continues on mapping of 1970 urban land use from 1970 census contemporaneous aircraft photography. In addition, change detection analysis from 1972 aircraft photography is underway for several urban test sites. Land use maps, mosaics, and census overlays for the two largest urban test sites are nearing publication readiness. Preliminary examinations of ERTS-1 imagery of San Francisco Bay have been conducted which show that tracts of land of more than 10 acres in size which are undergoing development in an urban setting can be identified. In addition, each spectral band is being evaluated as to its utility for urban analyses. It has been found that MSS infrared band 7 helps to differentiate intra-urban land use details not found in other MSS bands or in the RBV coverage of the same scene. Good quality false CIR composites have been generated from 9 x 9 inch positive MSS bands using the Diazo process.

Wray, J. R.↗
NASA NTRS1975

Lake eutrophication as indicated by ERTS satellite imagery

Light reflectance from water in the laboratory always correlates to the water quality parameter of turbidity. This turbidity is caused by suspended solids in the water and for a particular type of material there is a good correlation between the weight of these suspended solids and turbidity. However, this correlation is different for different types of material. When this suspended material is living green matter as in an eutrophic lake, the changes in reflectance can be detected as changes in brightness on a particular aerial image. Two test sites have shown that there is indeed a good correlation between the brightness on an ERTS image and lake eutrophication.

Scherz, J. P.↗
NASA NTRS1978

Noise-Induced Building Vibrations Caused by Concorde and Conventional Aircraft Operations at Dulles and Kennedy International Airports

Outdoor and indoor noise levels resulting from aircraft flyovers and certain nonaircraft events were recorded, as were the associated vibration levels in the walls, windows, and floors at building test sites. In addition, limited subjective tests were conducted to examine the human detection and annoyance thresholds for building vibration and rattle caused by aircraft noise. Representative peak levels of aircraft noise-induced building vibrations are reported and comparisons are made with structural damage criteria and with vibration levels induced by common domestic events. In addition, results of a pilot study are reported which indicate the human detection threshold for noise-induced floor vibrations.

Mayes, W. H.↗
NASA NTRS1980

The relationship of storm severity to directionally resolved radio emissions

Directionally resolved atmospheric radio frequency emission data were acquired from thunderstorms occurring in the central and southwestern United States. In addition, RF sferic tracking data were obtained from hurricanes and tropical depressions occurring in the Gulf of Mexico. The data were acquired using a crossed baseline phase interferometer operating at a frequency of 2.001 MHz. The received atmospherics were tested for phase linearity across the array, and azimuth/elevation angles of arrival were computed in real time. A histogram analysis of sferic burst count versus azimuth provided lines of bearing to centers of intense electrical activity. Analysis indicates a consistent capability of the phase linear direction finder to detect severe meteorological activity to distances of 2000 km from the receiving site. The technique evidences the ability to discriminate severe storms from nonsevere storms coexistent in large regional scale thunderstorm activity.

Johnson, R. O.↗
NASA NTRS1985

A spring window for geobotanical anomaly detection

The observation of senescence of deciduous vegetation to detect soil heavy metal mineralization is discussed. A gridded sampling of two sites of Quercus alba L. in south-central Virginia in 1982 is studied. The data reveal that smaller leaf blade lengths are observed in the soil site with copper, lead, and zinc concentrations. A random study in 1983 of red and white Q. rubra L., Q. prinus L., and Acer rubrum L., to confirm previous results is described. The observations of blade length and bud breaks show a 7-10 day lag in growth in the mineral site for the oak trees; however, the maple trees are not influenced by the minerals.

Bell, R.↗
NASA NTRS1986

He-Ne and CW CO2 laser long-path systems for gas detection

This paper describes the design and testing of a laboratory prototype dual He-Ne laser system for the detection of methane leaks from underground pipelines and solid-waste landfill sites using differential absorption of radiation backscattered from topographic targets. A laboratory-prototype dual CW carbon dioxide laser system also using topographic backscatter is discussed, and measurement results for methanol are given. With both systems, it was observed that the time-varying differential absorption signal was useful in indicating the presence of a gas coming from a nearby source. Limitations to measurement sensitivity, especially the role of speckle and atmospheric turbulence, are described. The speckle results for hard targets are contrasted with those from atmospheric aerosols. The appendix gives appropriate laser lines and values of absorption coefficients for the hydrazine fuel gases.

Grant, W. B.↗
NASA NTRS2000

A Study of H II Regions and M8

We present an overview of the objects in the interstellar medium known as H II regions. These clouds of dust and gas are detected in emission throughout the plane of the galaxy, and are the site of ongoing star formation. We present imagery of one of the more famous H II regions; M8, the Lagoon Nebula. The ionization structure of the nebula is examined and our ground-based imagery is compared to HST (Hubble Space Telescope) archival images of this object.

Battle, Tamara↗
NASA NTRS1983

Mineral/Water Analyzer

An x-ray fluorescence spectrometer developed for the Viking Landers by Martin Marietta was modified for geological exploration, water quality monitoring, and aircraft engine maintenance. The aerospace system was highly miniaturized and used very little power. It irradiates the sample causing it to emit x-rays at various energies, then measures the energy levels for sample composition analysis. It was used in oceanographic applications and modified to identify element concentrations in ore samples, on site. The instrument can also analyze the chemical content of water, and detect the sudden development of excessive engine wear.

Source record↗
NASA NTRS2004

Preliminary Results of the Magnetic Properties Experiments on the Mars Exploration Rovers, Spirit and Opportunity

The Mars Exploration Rovers each carry a set of Magnetic Properties Experiments designed to investigate the properties of the air-borne dust in the Martian atmosphere. It is a preferred interpretation of previous experiments (Viking 1 & 2, 1976 and Mars Pathfinder, 1997) that the airborne dust in the Martian atmosphere is primarily composed by composite silicate particles containing one or more highly magnetic minerals as a minor constituent, this minor constituent probably being dominated by the mineral maghemite (gamma-Fe2O3). The ultimate goal of the magnetic properties experiments on the Mars Exploration Rover mission is to provide some information/constraints on whether the dust is formed by volcanic, meteoritic, aqueous, or other processes. In detail, the objectives are: a) To identify the magnetic mineral(s) in the dust, soil and rocks on Mars. b) To establish if the magnetic material is present in the form of nanosized (d < 10 nm) superparamagnetic crystallites embedded in the micrometer sized airborne dust part icles. c) To establish if the magnets are culling a subset of strongly magnetic particles or if essentially all particles of the airborne dust are sufficiently magnetic to be attracted by the magnets. d) Detect compositional differences between the airborne dust and the soil and rock sites which are investigated at two landing sites. To accomplish these goals the Mars Exploration Rovers each carry a set of permanent magnets of several different strengths and sizes. Each magnet has its own specific objective.

Hviid, S. F.↗
NASA NTRS2006

Automated, on-board terrain analysis for precision landings

Advances in space robotics technology hinge to a large extent upon the development and deployment of sophisticated new vision-based methods for automated in-space mission operations and scientific survey. To this end, we have developed a new concept for automated terrain analysis that is based upon a generic image enhancement platform|multi-scale retinex (MSR) and visual servo (VS) processing. This pre-conditioning with the MSR and the vs produces a "canonical" visual representation that is largely independent of lighting variations, and exposure errors. Enhanced imagery is then processed with a biologically inspired two-channel edge detection process, followed by a smoothness based criteria for image segmentation. Landing sites can be automatically determined by examining the results of the smoothness-based segmentation which shows those areas in the image that surpass a minimum degree of smoothness. Though the msr has proven to be a very strong enhancement engine, the other elements of the approach|the vs, terrain map generation, and smoothness-based segmentation|are in early stages of development. Experimental results on data from the Mars Global Surveyor show that the imagery can be processed to automatically obtain smooth landing sites. In this paper, we describe the method used to obtain these landing sites, and also examine the smoothness criteria in terms of the imager and scene characteristics. Several examples of applying this method to simulated and real imagery are shown.

Rahman, Zia-ur↗
NASA NTRS2006

Automated On-board Terrain Analysis for Precision Landings

Advances in space robotics technology hinge to a large extent upon the development and deployment of sophisticated new vision-based methods for automated in-space mission operations and scientific survey. To this end, we have developed a new concept for automated terrain analysis that is based upon a generic image enhancement platform-multi-scale Retinex (MSR) and visual servo (VS) processing. This pre-conditioning with the MSR and the VS produces a "canonical" visual representation that is largely independent of lighting variations, and exposure errors. Enhanced imagery is then processed with a biologically inspired two-channel edge detection process, followed by a smoothness based criteria for image segmentation. Landing sites can be automatically determined by examining the results of the smoothness-based segmentation which shows those areas in the image that surpass a minimum degree of smoothness. Though the MSR has proven to be a very strong enhancement engine, the other elements of the approach, the VS, terrain map generation, and smoothness-based segmentation, are in early stages of development. Experimental results on data from the Mars Global Surveyor show that the imagery can be processed to automatically obtain smooth landing sites. In this paper, we describe the method used to obtain these landing sites, and also examine the smoothness criteria in terms of the imager and scene characteristics. Several examples of applying this method to simulated and real imagery are shown.

Rahman, Zia-ur↗
NASA NTRS2014

Organic Molecules in the Sheepbed Mudstone, Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument on the Curiosity rover is designed to determine the inventory of organic and inorganic volatiles thermally released from solid samples using a combination of evolved gas analysis (EGA), gas chromatography mass spectrometry (GCMS), and tunable laser spectroscopy. Here we report on various chlorinated hydrocarbons (chloromethanes, chlorobenzene and dichloroalkanes) detected at elevated levels above instrument background at the Cumberland (CB) drill site, and discuss their possible sources.

Freissinet, C.↗
NASA NTRSDate not supplied

The Lunar Regolith Terrain (LRT) Field: A New Lunar Surface Planetary Analog Facility at NASA Marshall Space Flight Center (MSFC)

Introduction: NASA is moving toward a new age of exploration and resource utilization of the lunar surface. Challenges related to exploration, resource utilization, and construction at the Lunar South Pole will require advanced technology and well-designed mission concepts and operations. NASA Marshall Space Flight Center (MSFC) has added new capabilities to support surface mobility and construction activities to meet industry, academia, and NASA research and development goals for lunar applications. The Lunar Regolith Terrain (LRT) field is a new, large-area, lunar regolith simulant planetary analog testing ground for users interested in surface mobility and lunar construction activities. The LRT complements NASA MSFC’s other lunar environment testing facilities such as the Lunar Surface Simulator (V20 dirty vacuum chamber), the Lunar Environment Testing System (LETS), among many others. Lunar Regolith Terrain (LTR) Description: The Lunar Regolith Terrain field is an outdoor planetary analog environment facility located on base at MSFC. The lunar regolith simulant is JSC-1A feedstock material (volcanic cinder sand sourced from Meriam Crater, Flagstaff, AZ). The field contains more than 500 tons of lunar regolith simulant confined within a 125 ft x 125 ft (38 m x 38 m) area. The field is placed ~ 50% over paved parking lot and ~ 50% over a natural ground. Currently, the depth of regolith ranges between ~ 5 in - ~ 4 ft (~ 13cm – 1.2m) but can be modified to suit user needs. The lunar regolith simulant that makes up the field has representative geotechnical, geochemical, and optical properties of lunar mare basalt. An area within the LRT of lunar highlands terrain simulant is planned. Additional Features of the LRT: The LRT was designed to allow rapid modification of the terrain’s topography obstacles in the field. The terrain can be reshaped to suit specific testing requirements that may require flat expanses, steep hills, or heavily cratered and rocky landscapes. Large rocky obstacles in Fig. 1 are artificial landscape boulders (faux-rocks) that can be easily placed by users or removed entirely. Areas of the field also contain buried fiducials, large sheets, bar stock, and pipes of various composition and dimensions to allow for possible ground penetrating radar and shallow seismic studies. Rapid modification capabilities will also allow for burial of additional user-specific materials to enable in-situ resource utilization detection (e.g., burial of hydrogen sources for neutron detection or other materials). The field is also equipped with on-site office space with an air-conditioned and heated trailer with 120/240V power and lighting. The site has Wi-Fi and Cellular signal coverage. Direct radio frequency communication with the Huntsville Operations Support Center (HOSC) is in development. Additional on-site workspace and secure equipment storage is available in adjacent buildings. Accessibility to the field is straightforward with on-site parking and access for delivery of instruments, payloads, and additional equipment. Community Availability: The LRTF provides an accessible planetary analog surface environment for surface mobility testing, autonomous roving operations, developing advanced navigation techniques and operations development. Interested parties can contact the abstract authors for additional details, tours, and scheduling.

Lunar Regolith↗