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At least 739 records · Page 41

Fast Grain Mapping with Sub-Nanometer Resolution Using 4D-STEM with Grain Classification by Principal Component Analysis and Non-Negative Matrix Factorization

High-throughput grain mapping with sub-nanometer spatial resolution is demonstrated using scanning nanobeam electron diffraction (also known as 4D scanning transmission electron microscopy, or 4D-STEM) combined with high-speed direct-electron detection. An electron probe size down to 0.5 nm in diameter is used and the sample investigated is a gold–palladium nanoparticle catalyst. Computational analysis of the 4D-STEM data sets is performed using a disk registration algorithm to identify the diffraction peaks followed by feature learning to map the individual grains. Two unsupervised feature learning techniques are compared: principal component analysis (PCA) and non-negative matrix factorization (NNMF). The characteristics of the PCA versus NNMF output are compared and the potential of the 4D-STEM approach for statistical analysis of grain orientations at high spatial resolution is discussed.

47 OTHER INSTRUMENTATION↗

High resolution spectral imagery of comets

C-13/C-12 data at a spectral resolution of 75,000, resolving the background interferences was obtained. Some data was obtained for N-15/N-14. In April, observations were obtained for the D/H ratio. The model analysis of these observations is beginning with the goal of presentation at the Heidelberg Halley meeting. A very large quantity of observations were obtained of both features with variations on the time scale of an hour being measured. At times, the 5577 feature dominates, and at times it is nearly absent. To date, a large body of data have been obtained for C2, NH2, (O I), and probably H2O+, CN, and from the MKO data, OH. These features can all be correlated with respect to their relative velocities and distribution at the time of observation. The Greenstein effect will be used to measure similar results for CN, OH, and few other selected molecular features.

Smith, W. H.↗

The Fundamental Quadrupole Band of (14)N2: Line Positions from High-Resolution Stratospheric Solar Absorption Spectra

The purpose of this note is to report accurate measurements of the positions of O- and S-branch lines of the (1-0) vibration-rotation quadrupole band of molecular nitrogen ((14)N2) and improved Dunham coefficients derived from a simultaneous least-squares analysis of these measurements and selected infrared and far infrared data taken from the literature. The new measurements have been derived from stratospheric solar occultation spectra recorded with Fourier transform spectrometer (FTS) instruments operated at unapodized spectral resolutions of 0.002 and 0.01 /cm. The motivation for the present investigation is the need for improved N2 line parameters for use in IR atmospheric remote sensing investigations. The S branch of the N2 (1-0) quadrupole band is ideal for calibrating the line-of-sight airmasses of atmospheric spectra since the strongest lines are well placed in an atmospheric window, their absorption is relatively insensitive to temperature and is moderately strong (typical line center depths of 10 to 50% in high-resolution ground-based solar spectra and in lower stratospheric solar occultation spectra), and the volume mixing ratio of nitrogen is constant in the atmosphere and well known. However, a recent investigation has'shown the need to improve the accuracies of the N2 fine positions, intensities, air-broadened half-widths, and their temperature dependences to fully exploit this calibration capability (1). The present investigation addresses the problem of improving the accuracy of the N2 line positions.

Rinsland, C. P.↗

Revisiting Five Years of CASMI Contests with EPA Identification Tools

Software applications for high resolution mass spectrometry (HRMS)-based non-targeted analysis (NTA) continue to enhance chemical identification capabilities. Given the variety of available applications, determining the most fit-for-purpose tools and workflows can be difficult. The Critical Assessment of Small Molecule Identification (CASMI) contests were initiated in 2012 to provide a means to evaluate compound identification tools on a standardized set of blinded tandem mass spectrometry (MS/MS) data. Five CASMI contests have resulted in recommendations, publications, and invaluable datasets for practitioners of HRMS-based screening studies. The US Environmental Protection Agency’s (EPA) CompTox Chemicals Dashboard is now recognized as a valuable resource for compound identification in NTA studies. However, this application was too new and immature in functionality to participate in the five previous CASMI contests. In this work, we performed compound identification on all five CASMI contest datasets using Dashboard tools and data in order to critically evaluate Dashboard performance relative to that of other applications. CASMI data was accessed via the CASMI webpage and processed for use in our spectral matching and identification workflow. Relative to applications used by former contest participants, our tools, data, and workflow performed well, placing more challenge compounds in the top five of ranked candidates than did the winners of three contest years and tying in a fourth. In addition, we conducted an in-depth review of the CASMI structure sets and made these reviewed sets available via the Dashboard. Our results suggest that Dashboard data and tools would enhance chemical identification capabilities for practitioners of HRMS-based NTA.

97 MATHEMATICS AND COMPUTING↗

Application of image processing techniques to fluid flow data analysis

The application of color coding techniques used in processing remote sensing imagery to analyze and display fluid flow data is discussed. A minicomputer based color film recording and color CRT display system is described. High quality, high resolution images of two-dimensional data are produced on the film recorder. Three dimensional data, in large volume, are used to generate color motion pictures in which time is used to represent the third dimension. Several applications and examples are presented. System hardware and software is described.

Giamati, C. C.↗

ROSAT Science Data Center

This report provides a summary of the Smithsonian Astrophysical Observatory (SAO) ROSAT SCIENCE DATA CENTER (RSDC) activities for the recent years of our contract. Details have already been reported in the monthly reports. The SAO was responsible for the High Resolution Imager (HRI) detector on ROSAT. We also provided and supported the HRI standard analysis software used in the pipeline processing (SASS). Working with our colleagues at the Max Planck in Garching Germany (MPE), we fixed bugs and provided enhancements. The last major effort in this area was the port from VMS/VAX to VMS/ALPHA architecture. In 1998, a timing bug was found in the HRI standard processing system which degraded the positional accuracy because events accessed incorrect aspect solutions. The bug was fixed and we developed off-line correction routines and provided them to the community. The Post Reduction Off-line Software (PROS) package was developed by SAO and runs in the IRAF environment. Although in recent years PROS was not a contractual responsibility of the RSDC, we continued to maintain the system and provided new capabilities such as the ability to deal with simulated AXAF data in preparation for the NASA call for proposals for Chandra. Our most recent activities in this area included the debugging necessary for newer versions of IRAF which broke some of our software. At SAO we have an operating version of PROS and hope to release a patch even though almost all functionality that was lost was subsequently recovered via an IRAF patch (i.e. most of our problems were caused by an IRAF bug).

Murray, Stephen↗

Multiscale Characterization of Additive Manufacturing Components with Computed Tomography, 3D X-ray Microscopy, and Deep Learning

Additive manufacturing (AM) facilitates the creation of complex-geometry parts, driving advancements in lightweight aerospace components, high-efficiency engine cooling channels, and customized medical implants. However, ensuring the quality and reliability of AM parts remains challenging due to internal defects, surface irregularities, porosity, and residual trapped powder, which are often inaccessible to traditional inspection methods. Recent developments in X-ray computed tomography (XCT) and 3D X-ray microscopy (XRM), particularly systems equipped with resolution-at-a-distance (RaaD™) capabilities, enable high-resolution, non-destructive evaluation of AM components across multiple scales, from sub-micrometer to macroscopic levels. This paper explores modern XCT and XRM techniques for multiscale characterization of AM parts, focusing on their ability to detect and analyze defects such as porosity, cracks, inclusions, and surface roughness, while offering insights into defect formation mechanisms, material properties, and process-induced variations. The integration of deep learning (DL) frameworks, including Simurgh, DeepRecon, and DeepScout, enhances XCT/XRM workflows by reducing scan times, improving resolution recovery, and enabling accurate defect detection even with limited projection data. These DL-based methods overcome limitations of traditional reconstruction techniques, enabling faster, more reliable characterization of dense materials like Inconel 718 and novel alloys such as AlCe. Applications include process parameter optimization, high-throughput quality control, and multistage AM process evaluation, with DL-enhanced workflows accelerating analysis times from weeks to days. Correlative imaging approaches further validate XCT and XRM data against scanning electron microscopy (SEM) images of physically sectioned samples, confirming the accuracy of DL-based reconstructions and enabling comprehensive defect analysis. While challenges remain in generalizing DL models to diverse materials and imaging conditions, improvements in resolution, noise reduction, and defect detection highlight the transformative potential of these methods. This multiscale and correlative approach enables precise identification and correlation of microstructural features with the overall performance of AM components. By integrating advanced XCT, XRM, and DL techniques, this paper demonstrates a significant leap forward in AM characterization, offering valuable insights into the relationships between processing parameters, microstructure, and part performance, and driving innovations that enhance the quality and reliability of AM products for demanding industrial applications.

Additive manufacturing↗

A comparative evaluation of simulated SPOT, Thematic Mapper, and simulated Thematic Mapper data in a western ecozone

Spectral information content was quantitatively measured for simulated SPOT, Thematic Mapper, and simulated Thematic Mapper data acquired over Santa Cruz County, California. Two techniques were employed: spectral separability summarized through optimal wave band evaluation, and histogram cluster analysis. Using data from the three sources it is shown that three spectral bands can provide separability nearly as high as six bands provide, if the three bands are optimally chosen for the cover type. Analysis of the Santa Cruz scene emphasizes the importance of TM bands 1 and 5 in particular. The three bands of the SPOT scanner are shown to provide sufficient separability for cover types within the study area. The higher spatial resolution data (20 meters) provided by SPOT contain more distinct distributions than data from the other sources studied. Techniques should be developed to exploit this additional information.

Buis, J. S.↗

Experimental and theoretical evidence for hydrogen doping in polymer solution-processed indium gallium oxide

The field-effect electron mobility of aqueous solution-processed indium gallium oxide (IGO) thin-film transistors (TFTs) is significantly enhanced by polyvinyl alcohol (PVA) addition to the precursor solution, a >70-fold increase to 7.9 cm 2 /Vs. To understand the origin of this remarkable phenomenon, microstructure, electronic structure, and charge transport of IGO:PVA film are investigated by a battery of experimental and theoretical techniques, including In K-edge and Ga K-edge extended X-ray absorption fine structure (EXAFS); resonant soft X-ray scattering (R-SoXS); ultraviolet photoelectron spectroscopy (UPS); Fourier transform-infrared (FT-IR) spectroscopy; time-of-flight secondary-ion mass spectrometry (ToF-SIMS); composition-/processing-dependent TFT properties; high-resolution solid-state 1 H, 71 Ga, and 115 In NMR spectroscopy; and discrete Fourier transform (DFT) analysis with ab initio molecular dynamics (MD) liquid-quench simulations. The 71 Ga{ 1 H} rotational-echo double-resonance (REDOR) NMR and other data indicate that PVA achieves optimal H doping with a Ga···H distance of ~3.4 Å and conversion from six- to four-coordinate Ga, which together suppress deep trap defect localization. This reduces metal-oxide polyhedral distortion, thereby increasing the electron mobility. Finally, hydroxyl polymer doping thus offers a pathway for efficient H doping in green solvent-processed metal oxide films and the promise of high-performance, ultra-stable metal oxide semiconductor electronics with simple binary compositions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Beyond magnons in Nd 2 ScNbO 7 : An Ising pyrochlore antiferromagnet with all-in–all-out order and random fields

We report the low-temperature magnetic properties of Nd 3+ pyrochlore Nd 2 ScNbO 7 . Susceptibility and magnetization show an easy-axis moment, and heat capacity reveals a phase transition to long-range order at T N =371(2) mK with a fully recovered ΔS=Rln(2), 53% of it recovered for T>T N . Elastic neutron scattering shows a long-range all-in all-out magnetic order with low-Q diffuse elastic scattering. Inelastic neutron scattering shows a low-energy flat band, indicating a magnetic Hamiltonian similar to Nd 2 Zr 2 O 7 . Nuclear hyperfine excitations measured by ultra-high-resolution neutron backscattering indicate a distribution of static electronic moments below T N , which may be due to B-site disorder influencing Nd crystal electric fields. Analysis of heat-capacity data shows an unexpected T-linear or T 3/2 term which is inconsistent with conventional magnon quasiparticles, but is consistent with fractionalized spinons or gapless local spin excitations. We use legacy data to show similar behavior in Nd 2 Zr 2 O 7 . Comparing local static moments also reveals a suppression of the nuclear Schottky anomaly in temperature, evidencing a fraction of Nd sites with nearly zero static moment, consistent with exchange-disorder-induced random singlet formation. Finally, taken together, these measurements suggest an unusual fluctuating magnetic ground state which mimics a spin liquid, but may not actually be one.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Use of satellite data for mapping snow cover in the western United States

The author has identified the following significant results. The results of the analysis of ERTS imagery for the Arizona and California test sites indicate that the extent of the mountain snowpacks can be mapped from ERTS data in more detail than is depicted in aerial survey snow charts. In addition to comparative analysis with aerial snow charts, the ERTS data have also been compared with high altitude aircraft photography. The results of the comparative analysis indicate that although small details in the snow line that cannot be detected in the ERTS data can be mapped from the higher resolution aircraft data, the boundaries of the areas of significant snow cover can be mapped as accurately from ERTS imagery as from aircraft photography.

Barnes, J. C.↗

Remote sensor digital image data analysis using the General Electric Image 100 analysis system (a study of analysis speed, cost, and performance)

The author has identified the following significant results. It was found that the high speed man machine interaction capability is a distinct advantage of the image 100; however, the small size of the digital computer in the system is a definite limitation. The system can be highly useful in an analysis mode in which it complements a large general purpose computer. The image 100 was found to be extremely valuable in the analysis of aircraft MSS data where the spatial resolution begins to approach photographic quality and the analyst can exercise interpretation judgements and readily interact with the machine.

Mcmurtry, G. J.↗

Applications of Skylab data to land use and climatological analysis

The author has identified the following significant results. Skylab study in Central Atlantic Regional Ecological Test Site encompassed two separate but related tasks: (1) evaluation of photographic sensors S190A and B as sources of land use data for planning and managing land resources in major metropolitan regions, and (2) evaluation of the multispectral scanner S192 used in conjunction with associated data and analytical techniques as a data source on urban climates and the surface energy balance. Photographs from the Skylab S190B earth terrain camera were of greatest interest in the land use analysis task; they were of sufficiently high resolution to identify and map many level 2 and 3 land use categories. After being corrected to allow for atmosphere effects, output from thermal and visible bands of the S192 was employed in constructing computer map plots of albedo and surface temperature.

Alexander, R. H.↗

Observation and Interpretation of Lunar Occultations

The importance of timings and high resolution astrometry in occultation observations is discussed as well as the occultation process itself. The design and operation of the telescope, photodetector, and data acquisition systems are described. Methods are presented for data analysis and model fitting. Observations of beta Capricorni and Uranus occultations are examined. General conclusions concerning occultation observations are explored and future activities at Prairie Observatory are discussed.

Radick, R. R.↗

High resolution atmospheric and surface variability from combined MAMS and VAS radiances

Measuring of the variation of atmospheric and surface quantities such as moisture and stability at small scales is an important step to monitoring, understanding and forecasting mesoscale processes. For instance, moisture and stability products from the geostationary platform VISSR Atmospheric Sounder (VAS) exhibit interesting detail at the meso B (20-200 km) level (Chesters et al., 1986; Smith et al., 1985). However, variations at the meso C scale (2-20 km) and at the lower end of the meso B scale (20-100 km) suffer from the effects of noise. Noise can be greatly reduced by using a high resolution data collection system. The Multispectral Atmospheric Mapping Sensor (MAMS), with its 100-m resolution over a 36km swath, is well suited to provide high resolution mesoscale information about the atmosphere and surface of the earth. A more complete depiction of the atmospheric state at the smaller scales is possible through the combination of the high horizontal resolution MAMS data with the vertical sounding data of the VAS. This paper demonstrates a procedure for combining MAMS and VAS data in a physical retrieval to produce high resolution derived products of precipitable water (PW), lifted index (LI), and skin temperature (TS). The variability of these products is evaluated in a structure function analysis similar to that of Hillger and Vonder Haar (1979). Results for 19 June 1986 from the Cooperative Hunstville Meteorological Experiment (COHMEX) are presented.

Moeller, Christopher C.↗

Toa Baja Disasters: Utilizing Open-Source Earth Observations to Inform the Toa Baja Municipality’s Flood Mitigation Efforts and Educate the Public

Toa Baja, located just west of San Juan in Puerto Rico, is known as “the underwater city” due to its propensity to flood. The city contains the mouth of the island’s longest river, Río de la Plata, which drains into the Atlantic Ocean on the northern edge of the municipality. Proximity to these major water features and the flat, low terrain contribute to the flood-prone nature of the area. During tropical storm events, such as Hurricane Maria in 2017, Toa Baja experienced inundation of up to 20 feet. Changes in the global climate system are causing more intense and frequent tropical storms, making places like Toa Baja subject to irreparable damage. This NASA DEVELOP project collaborated with the Municipio Autónomo de Toa Baja, ResilientSEE, and the Massachusetts Institute of Technology Urban Risk Lab to supplement recent 2018 Federal Emergency Management Agency Hydraulic Engineering Centers-River Analysis System flood maps, which designated 63% of the area as a flood plain. The analysis provides a high-resolution interpretation of flood susceptibility using a variety of factors that collectively influence the likelihood of flooding. Sentinel-1 C-Band Synthetic Aperture Radar (C-SAR) data processed with Google Earth Engine scripting identified historical inundation and was used for validation purposes. Socioeconomic factors were combined with the inundation layer producing a final risk output. These outputs will improve public understanding of exposure to flood risk in Toa Baja and provide scientific evidence for flood mitigation advocacy.

Disasters↗

Toa Baja Disasters: Utilizing Open-Source Earth Observations to Inform the Toa Baja Municipality’s Flood Mitigation Efforts and Educate the Public

Toa Baja, located just west of San Juan in Puerto Rico, is known as “the underwater city” due to its propensity to flood. The city contains the mouth of the island’s longest river, Río de la Plata, which drains into the Atlantic Ocean on the northern edge of the municipality. Proximity to these major water features and the flat, low terrain contribute to the flood-prone nature of the area. During tropical storm events, such as Hurricane Maria in 2017, Toa Baja experienced inundation of up to 20 feet. Changes in the global climate system are causing more intense and frequent tropical storms, making places like Toa Baja subject to irreparable damage. This NASA DEVELOP project collaborated with the Municipio Autonómo de Toa Baja, ResilientSEE, and the Massachusetts Institute of Technology Urban Risk Lab to supplement recent 2018 Federal Emergency Management Agency Hydraulic Engineering Centers-River Analysis System flood maps, which designated 63% of the area as a flood plain. The analysis provides a high-resolution interpretation of flood susceptibility using a variety of factors that collectively influence the likelihood of flooding. Sentinel-1 C-Band Synthetic Aperture Radar (C-SAR) data processed with Google Earth Engine scripting identified historical inundation and was used for validation purposes. Socioeconomic factors were combined with the inundation layer producing a final risk output. These outputs will improve public understanding of exposure to flood risk in Toa Baja and provide scientific evidence for flood mitigation advocacy.

Disasters↗

Phase-based velocity extraction method for photonic Doppler velocimetry with potential higher time resolution

We present an extension of the [Takeda et al., J. Opt. Soc. Am. 72, 156 (1982)] phase extraction method to heterodyne photonic Doppler velocimetry applications. The method yields results equivalent to those obtained by the short-time Fourier transform (STFT), while offering potential improvements in time resolution. Unlike STFT, which relies on window functions, such as the Hamming window, that emphasize central data points and diminish the influence of edges, the extended Takeda method utilizes all data uniformly. This uniform treatment allows for the derivation of empirical equations that directly relate velocity error to the actual time resolution rather than to the local analysis duration. The established equation provides a useful metric for both optimizing hardware configuration and guiding data analysis. Simulation and experimental results confirm that, for a given dataset, specifying a target time resolution yields consistent velocity errors for both methods. These findings underscore the Takeda method’s advantages, particularly its potential higher time resolution and reduced computational burden, making it a valuable tool for high-throughput applications such as laser dynamic compression experiments.

Computer simulation↗