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At least 343 records · Page 19

Simulation of Inelastic Neutron Scattering Spectra Directly from Molecular Dynamics Trajectories

Inelastic neutron scattering (INS) is a widely used technique to study atomic and molecular vibrations. With the increasing complexity of materials and thus the INS spectra, being able to simulate the spectra from various atomistic models becomes an essential step and also a major bottleneck for INS data analysis. The conventional approach using density functional theory and lattice dynamics often falls short when the materials of interest are complex (e.g., defective, disordered, heterogeneous, amorphous, large-scale), for which molecular dynamics driven by an interatomic force field is a more common approach. In this paper, we demonstrate a method to directly convert molecular dynamics trajectories into simulated INS spectra, including not only fundamental but also higher order excitations. In this work, the results are compared with data collected on various representative samples from different neutron spectrometers. This development will open great opportunities by providing the key tool to perform in-depth analysis of INS data and to validate and optimize computer models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vortex information display system program description manual

A vortex information display system is described which provides flexible control through system-user interaction for collecting wing-tip-trailing vortex data, processing this data in real time, displaying the processed data, storing raw data on magnetic tape, and post processing raw data. The data is received from two asynchronous laser Doppler velocimeters (LDV's) and includes position, velocity, and intensity information. The raw data is written onto magnetic tape for permanent storage and is also processed in real time to locate vortices and plot their positions as a function of time. The interactive capability enables the user to make real time adjustments in processing data and provides a better definition of vortex behavior. Displaying the vortex information in real time produces a feedback capability to the LDV system operator allowing adjustments to be made in the collection of raw data. Both raw data and processing can be continually upgraded during flyby testing to improve vortex behavior studies. The post-analysis capability permits the analyst to perform in-depth studies of test data and to modify vortex behavior models to improve transport predictions.

Conway, R.↗

Australian Bushfire in 2020: Accessing MERRA-2 Data in GES DISC Remotely through OPeNDAP & Calculating Statistics with Python3

The evolution and transport of thick haze from the 2020 Australian bushfire is tracked using the NASA Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) data archived at the NASA GES DISC data center. The MERRA-2 provides global data at 0.5 x 0.625 spatial resolution since the year 1980. In this use case, with xarray, a python3 library, we remotely accessed the hourly aerosol optical depth (AOD) and PM2.5 data through the OpeNDAP service provided by GES DISC. We also derived weekly data from hourly ones.

Xiaohua Pan↗

RTN-008: Rubin Observatory Processing of Gravitational Wave TOO Data in the Early Operations Era

Since the watershed discovery of an electromagnetic counterpart to the LIGO/VIRGO gravitational wave source GW170817, multi-messenger astrophysics has emerged as a major area of strategic focus for the NSF. Rubin Observatory’s depth, survey speed, and data management systems will make it a key asset in the search for EM counterparts. Exploiting this capability during the phases of Rubin commissioning and early operations that coincide with GW observing run O4 may require special actions, however. We discuss potential approaches to data access, template building, and special data processing.

79 ASTRONOMY AND ASTROPHYSICS↗

Spectral reflectance systematics for mixtures of powdered hypersthene, labradorite, and ilmenite

Spectral reflectance measurements in the range from 0.4- to 2.5 microns were made for synthetic powder mixtures of a single suite of plagioclase, pyroxene, and ilmenite, which are the principal mineral phase types making up virtually all lunar surface materials studied to date. Binary and ternary data plots of the parameters albedo, band depth, and red to blue ratios versus mixture composition show how variation in the concentration of each mineral phase in a mixture affects changes in the overall reflectance spectrum of the mixture. Principal mixing effects noted are (1) the disproportionate darkening effect of opaque ilmenites and (2) the persistence, the wavelength stability, and the depth versus concentration proportionality of the 1-micron band of pyroxene. These results indicate that by comparing the albedo and band depth of an unknown spectrum with calibration data obtained with laboratory standards, it is possible to determine the ratio of crystalline phases in the material producing spectra such as may be obtained telescopically from small areas on lunar and planetary surfaces.

Nash, D. B.↗

Lunar electrical conductivity, permeability and temperature from Apollo magnetometer experiments

Magnetometers were deployed at four Apollo sites on the moon to measure remanent and induced lunar magnetic fields. Measurements from this network of instruments were used to calculate the electrical conductivity, temperature, magnetic permeability, and iron abundance of the lunar interior. The measured lunar remanent fields range from 3 gammas minimum at the Apollo 15 site to 327 gammas maximum at the Apollo 16 site. Simultaneous magnetic field and solar plasma pressure measurements show that the remanent fields at the Apollo 12 and 16 sites interact with, and are compressed by, the solar wind. Remanent fields at Apollo 12 and Apollo 16 are increased 16 gammas and 32 gammas, respectively, by a solar plasma bulk pressure increase of 1.5 X 10 to the -7th power dynes/sq cm. Global lunar fields due to eddy currents, induced in the lunar interior by magnetic transients, were analyzed to calculate an electrical conductivity profile for the moon. From nightside magnetometer data in the solar wind it was found that deeper than 170 km into the moon the conductivity rises from .0003 mhos/m to .10 mhos/m at 100 km depth. Recent analysis of data obtained in the geomagnetic tail, in regions free of complicating plasma effects, yields results consistent with nightside values.

Dyal, P.↗

Investigation of Antarctic crust and upper mantle using MAGSAT and other geophysical data

Development of a spectral analysis technique to determine the depth to the Curie Isotherm from MAGSAT data over Antarctica is reported. The analysis of the power spectra of a number of MAGSAT passes over Antarctica indicates on the average two power maxima for each flight pass, one with spatial wavelength of approximately 2000 km and the other with a wavelength of approximately 700 km. It was not determined whether these spectral peaks are geological or mathematical in origin.

Bentley, C. R.↗

An analysis of haze effects on LANDSAT multispectral scanner data

Early season changes in optical depth change brightness, primarily along the soil line; and during crop development, changes in optical depth change both greenness and brightness. Thus, the existence of haze in the imagery could cause an unsuspecting analyst to interpret the spectral appearance as indicating an episodal event when, in fact, haze was present. The techniques for converting LANDSAT-3 data to simulate LANDSAT-2 data are in error. The yellowness and none such computations are affected primarily. Yellowness appears well correlated to optical depth. Experimental evidence with variable background and variable optical depth is needed, however. The variance of picture elements within a spring wheat field is related to its equivalent in optical depth changes caused by haze. This establishes the sensitivity of channel 1 (greenness) pixels to changes in haze levels. The between field picture element means and variances were determined for the spring wheat fields. This shows the variability of channel data on two specific dates, emphasizing that crop development can be influenced by many factors. The atmospheric correction program ATCOR reduces segment data from LANDSAT acquisitions to a common haze level and improves the results of analysis.

Johnson, W. R.↗

Sensitivity of constrained linear inversions to the selection of the Lagrange multiplier

The influence of the choice of the Lagrange multiplier on constrained linear inversions is explored, with reference made to applications in inferring the columnar aerosol size distributions from spectral aerosol optical depth measurements. A range of the Lagrange multiplier is examined to find all positive solutions for the solution vector, which represents modifying factors to the assumed form of the size distribution. An iterative method is devised to constrain the calculations to consideration of only positive quantities and a requirement that the regression fit to data be consistent with measurement errors. The determination of the variances and covariances is formulated and applied to existing data sets for optical depth. Variances in the solution are found to be large for particle radii when the information content of the data is small.

King, M. D.↗

Loadcell supports for a dynamic force plate

An apparatus was developed to accurately measure components of force along three mutually perpendicular axes, torque, and the center of pressure imposed by the foot of a subject walking over its surface. The data obtained were used to supplement high-speed motion picture and electromyographic (EMG) data for in-depth studies of normal or abnormal human gait. Significant features of the design (in particular, the mechanisms used to support the loadcell transducers) are described. Results of the development program and typical data obtained with the device are presented and discussed.

Keller, C. W.↗

Machine learning predictions of near-surface permafrost extent at Teller 27, Teller 47, and the Kougarok 64 Hillslope sites on the Seward Peninsula, Alaska: Supporting Data

Geophysical surveys were conducted at the NGEE Arctic Teller mile marker 27 site, Teller mile marker 47 site, and Kougarok mile marker 64 site during the summers of 2018, 2019, and 2021. Additional data was collected at Teller mile marker 47 during September 2021 and August 2022. These surveys were used to identify locations of near-surface permafrost during the period of maximum seasonal thaw depth for ground truth data used in machine learning predictions of near-surface permafrost extent at each site. This dataset contains CSV files of ground truth observations of near-permafrost presence or absence for each site, where PF = 1 indicates permafrost presence and PF = 0 indicates permafrost absence. The dataset also includes 2 sets of binary rasters (WGS84 UTM zone 3) of permafrost extent for each site using 1) all of the training data and 2) the transferred model. For both sets of rasters, 0 = non-permafrost and 1 = permafrost. Included are 6 *.tif files and 5 *.csv files that include a data dictionary (dd.csv) and file-level metadata (flmd.csv). This dataset is in support of the paper "Machine learning-derived high-resolution maps of near-surface permafrost for three watersheds on the Seward Peninsula, Alaska" that is in review (May 2023). The Next-Generation Experiments: Arctic (NGEE Arctic), a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Seismicity and the subduction process

There is considerable variation between subduction zones in the largest characteristic earthquake within each zone. Assuming that coupling between downgoing and upper plates is directly related to characteristic earthquake size, tests for correlations between variation in coupling and other physical features of subduction zones are conducted: the lateral extent and penetration depth of Benioff zones, age of subducting lithosphere, convergence rate, and back-arc spreading. Using linear multivariate regression, coupling is correlated with two variables: convergence rate and lithosphere age. Secondary correlations within the data set are penetration depth versus lithosphere age, and lateral extent versus convergence rate. Taken together, the observed correlations suggest a simple qualitative model where convergence rate and lithosphere age determine the horizontal and sinking rates, respectively, of slabs: these parameters influence the seismic coupling in the subduction zone. In the limit of a fast sinking rate and slow convergence rate, back-arc spreading occurs and thereby appears to be a passive process.

Ruff, L.↗

A-Train Aerosol Observations Preliminary Comparisons with AeroCom Models and Pathways to Observationally Based All-Sky Estimates

We have developed a technique for combining CALIOP aerosol backscatter, MODIS spectral AOD (aerosol optical depth), and OMI AAOD (absorption aerosol optical depth) retrievals for the purpose of estimating full spectral sets of aerosol radiative properties, and ultimately for calculating the 3-D distribution of direct aerosol radiative forcing. We present results using one year of data collected in 2007 and show comparisons of the aerosol radiative property estimates to collocated AERONET retrievals. Use of the recently released MODIS Collection 6 data for aerosol optical depths derived with the dark target and deep blue algorithms has extended the coverage of the multi-sensor estimates towards higher latitudes. We compare the spatio-temporal distribution of our multi-sensor aerosol retrievals and calculations of seasonal clear-sky aerosol radiative forcing based on the aerosol retrievals to values derived from four models that participated in the latest AeroCom model intercomparison initiative. We find significant inter-model differences, in particular for the aerosol single scattering albedo, which can be evaluated using the multi-sensor A-Train retrievals. We discuss the major challenges that exist in extending our clear-sky results to all-sky conditions. On the basis of comparisons to suborbital measurements, we present some of the limitations of the MODIS and CALIOP retrievals in the presence of adjacent or underlying clouds. Strategies for meeting these challenges are discussed.

Aerosol↗

Rapid Generation of Flood Maps Using Dual-Polarimetric Synthetic Aperture Radar Imagery

Rapid generation of synthetic aperture radar (SAR) based flood extent and flood depth maps provide valuable data in disaster response efforts. We present a simple but powerful method using dual polarimetric SAR imagery. A RGB false-color map is generated using pre- and post-flooding imagery, allowing operators to distinguish between existing standing water in pre-flooding data and recently flooded areas. This method works very well in areas of standing water, while large omission errors can be seen in urban areas due to the double-bounce effect. A flood depth map is also estimated by using an external DEM. Compared with FEMA flood product, flood water depth from the proposed method showed low bias with small dispersion. This automatic flood mapping system will contribute to the rapid assessment for disaster relief efforts.

Jo, MinJeong↗

Rapid Generation of Flood Maps Using Dual-Polarimetric Synthetic Aperture Radar Imagery

Rapid generation of synthetic aperture radar (SAR) based flood extent and flood depth maps provide valuable data in disaster response efforts. We present a simple but powerful method using dual-polarimetric SAR imagery. A RGB false-color map is generated using pre- and post-flooding imagery, allowing operators to distinguish between existing standing water in pre-flooding data and recently flooded areas. This method works very well in areas of standing water, while large omission errors can be seen in urban areas due to the double-bounce effect. A flood depth map is also estimated by using an external DEM. Compared with FEMA flood product, flood water depth from the proposed method showed low bias with small dispersion. This automatic flood mapping system will contribute to the rapid assessment for disaster relief efforts.

Jo, MinJeong↗

Artificial intelligence models, photos, and data associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” (v2)

This data package is associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” published in Water Resources Research (Chen et al., 2024). This data package includes the training, validation, testing, and prediction data used by the artificial intelligence (AI) model for automated grain size and hydro-biogeochemistry quantification using streambed photos. The grain size data are extracted for each photo using You Look Only Once (YOLO), a pre-trained object detection model. This data package was originally published in October 2023. It was updated August 2025 (v2; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. Please see flmd.csv for a list of all files contained in this data package and descriptions for each. Please see dd.csv for a data dictionary that defines the column headers of .csv files in the data package. This dataset is comprised of one data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; and (4) six subfolders. Subfolders 1 to 4 include the training, validation, testing, and prediction data. Subfolder 5_Summary includes the summary results of different combinations of training, validation, testing, and prediction data. Subfolder 6_SupplementalData includes additional data downloaded from public sources (Kaufman et al., 2023a; Kaufman et al., 2023b; Garefalakis et al., 2023; Mair et al., 2024; https://github.com/river-corridors-sfa/Geospatial_variables). In total, the data package includes 110 folders and 44,283 files. These files include 9,047 .jpg photos, 1 .png photo, 3 .tif photos; 26,639 photo labels and individual grain sizes and probability from AI (.txt); 8,447 grain size distribution data (.dat); and 126 CSV files for results summary, and 14 required metadata files (.xlsx). The summary CSV files contain 68 columns and approximately 2,200 rows that represent photo names, site locations, recording time, GPS coordinates, grains sizes (D10, D50, D60, and D84), number of grains, and additional hydro-biogeochemical data such as water depth, flow velocity, Manning’s coefficient, friction factor, hydraulic conductivity, permeability, streambed interstitial velocity magnitude, mass transfer rate, and nitrate uptake velocity. The photos were obtained from 75 sites in the Yakima River Basin and the Columbia River shorelines, and other associated data from samples and sensors obtained when the photos were taken are publicly available (Fulton et al. 2022; Grieger et al. 2023). All files are .csv, .txt, .dat, .jpg, or .pdf. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

Confirming Variability in the Secondary Eclipse Depth of the Super-Earth 55 Cancri e

We present a reanalysis of five transit and eight eclipse observations of the ultrashort-period super-Earth 55 Cancri e observed using the Spitzer Space Telescope during 2011-2013. We use pixel-level decorrelation to derive accurate transit and eclipse depths from the Spitzer data, and we perform an extensive error analysis. We focus on determining possible variability in the eclipse data, as was reported in Demory et al. From the transit data, we determine updated orbital parameters, yielding T (sub 0) = 2,455,733.0037 +/- 0.0002, P = 0.7365454 +/- 0.0000003 days, i = 83.5 +/- 1fdg3, and R p = 1.89 +/- 0.05 R ⊕. Our transit results are consistent with a constant depth, and we conclude that they are not variable. We find a significant amount of variability between the eight eclipse observations and confirm agreement with Demory et al. through a correlation analysis. We convert the eclipse measurements to brightness temperatures, and generate and discuss several heuristic models that explain the evolution of the planet's eclipse depth versus time. The eclipses are best modeled by a year-to-year variability model, but variability on shorter timescales cannot be ruled out. The derived range of brightness temperatures can be achieved by a dark planet with inefficient heat redistribution intermittently covered over a large fraction of the substellar hemisphere by reflective grains, possibly indicating volcanic activity or cloud variability. This time-variable system should be observable with future space missions, both planned (JWST) and proposed (i.e., ARIEL).

Tamburo, P.↗