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User's guide: Programs for processing altimeter data over inland seas

The programs described were developed to process GEODYN-formatted satellite altimeter data, and to apply the processed results to predict geoid undulations and gravity anomalies of inland sea areas. These programs are written in standard FORTRAN 77 and are designed to run on the NSESCC IBM 3081(MVS) computer. Because of the experimental nature of these programs they are tailored to the geographical area analyzed. The attached program listings are customized for processing the altimeter data over the Black Sea. Users interested in the Caspian Sea data are expected to modify each program, although the required modifications are generally minor. Program control parameters are defined in the programs via PARAMETER statements and/or DATA statements. Other auxiliary parameters, such as labels, are hard-wired into the programs. Large data files are read in or written out through different input or output units. The program listings of these programs are accompanied by sample IBM job control language (JCL) images. Familiarity with IBM JCL and the TEMPLATE graphic package is assumed.

Au, A. Y.↗

Kepler Data Validation Time Series File: Description of File Format and Content

The Kepler space mission searches its time series data for periodic, transit-like signatures. The ephemerides of these events, called Threshold Crossing Events (TCEs), are reported in the TCE tables at the NASA Exoplanet Archive (NExScI). Those TCEs are then further evaluated to create planet candidates and populate the Kepler Objects of Interest (KOI) table, also hosted at the Exoplanet Archive. The search, evaluation and export of TCEs is performed by two pipeline modules, TPS (Transit Planet Search) and DV (Data Validation). TPS searches for the strongest, believable signal and then sends that information to DV to fit a transit model, compute various statistics, and remove the transit events so that the light curve can be searched for other TCEs. More on how this search is done and on the creation of the TCE table can be found in Tenenbaum et al. (2012), Seader et al. (2015), Jenkins (2002). For each star with at least one TCE, the pipeline exports a file that contains the light curves used by TPS and DV to find and evaluate the TCE(s). This document describes the content of these DV time series files, and this introduction provides a bit of context for how the data in these files are used by the pipeline.

DV Time Series↗

Earth-Based Ring Occultation to the PDS Rings Node

The major task of this work has been to collect, document, and translate a wide variety of occultation data sets to a common format. This work has been completed. Table I lists the 1977-1987 Uranus occultation data sets that have been retrieved and which are ready for conversion to the PDS occultation standard format, once it has been standardized. The primary documentation and original data tapes for these occultations are part of the MIT data archive, and will be submitted to the PDS from MIT. I have been in contact with Jim Elliot and Steve McDonald, who are carrying out this work, and they have informed me that some of the original data tapes have bad blocks in them. As called upon, I will continue to provide the MIT group with whatever information they require in order that the most complete versions of the data sets be provided to the PDS. 2. All data sets from MIT NOVA disk platters were transcribed to Exabyte tapes, and software was written to enable the NOVA binary data formats to be converted to IEEE standard format. The number of these files which will be contributed to the PDS will depend on the success of the MIT group in reading the original data tapes for the events recorded on these disk platters. As needed, I will supply the MIT group with translated versions of these salvaged files for submission to the PDS. 3. The imaging observations from McDonald and Lick Observatories have been calibrated in both radius and optical depth, and are available in simple binary format. 4. Final submission of the Uranus ring data sets to the PDS is awaiting final agreement by the Rings Node Advisory Council on the PDS FITS format to be adopted for occultation data set.

French, Richard G.↗

Daily, 30 m Resolution NDSI Data for the East River Watershed, CO for 2000-2020

This dataset contains daily Normalized Difference Snow Index (NDSI) values at 30 m spatial resolution for the East River watershed in Colorado, USA. The temporal range of these data includes water years 2001-2020. These data were created using the Spatial and Temporal Adaptive Reflectance Fusion Model (STARFM). This model fuses low spatial and high temporal resolution data from MODIS (500 m, daily) with high spatial and low temporal resolution data from Landsat (30 m, 16 days) to create a 30m synthetic daily snow product. This product allows for the analysis of historical snow covered area trends in the East River Watershed at fine spatiotemporal resolutions where it was not available previously. This research was performed as a part of the Department of Energy’s Subsurface Biogeochemical Research Program with the primary intent of better understanding the timing and spatial patterns of water delivery to the Critical Zone in mountain watersheds. Each .zip file contains one "water year" of data (October 1 - September 30; i.e., water year 2010 starts October 1, 2010 and ends September 30, 2011). Each zip file contains the following: STARFM daily Normalized Difference Snow Index (NDSI) fusion data files in GeoTiff format with one layer for each day between Landsat data acquisition dates (i.e., for dates of Landsat acquisition, the Landsat image is included for that date). The study area is located in an area of Landsat path overlap, so Landsat dates acquisitions are every 7-9 days. Landsat NDSI files containing the high spatial (30m), low temporal (7-9 days due to Landsat path overlap) resolution data used as input to STARFM in GeoTiff format with one layer for each day. Dates for which no Landsat data were obtained are included as NoData layers. MODIS NDSI files containing the high temporal (daily), low spatial (500m) resolution data used as input to STARFM in GeoTiff format with one layer for each day. Please note the MODIS data were resampled to 30m pixels for input into the STARFM model. The data have a scale factor of 10,000 and a no data value of -32767. The projection of all datasets is WGS 84 (EPSG: 4326), which has a latitude/longitude based degree resolution of 0.0002694946 X 0.0002694946, and approximates to the 30 m spatial resolution mentioned above. The Layer Index files in .csv format. They contain information for each layer in the above GeoTiff files regarding the corresponding date for each layer, the fraction of pixels in the image that contain valid data (missing data is due to either cloud cover or poor data quality; these values are not percent snow cover). Dates of Landsat overpass are indicated in these files. If no Landsat data were able to be obtained due to cloud cover or lack of Landsat Tier 1 data available on Google Earth Engine, this is also noted.

EARTH SCIENCE > CRYOSPHERE > SNOW/ICE↗

Improving and Automating Building Model Data Exchange

There are many instances throughout a project’s lifecycle where there arises a need for quick and accurate risk assessment of building designs. For example, an unexpected design change during construction may necessitate structural engineers to perform a seismic risk assessment on analytical models of the updated building design using high fidelity structural analysis software, such as ANSYS or Abaqus. However, the efficiency of such workflows often depends upon the interoperability of architectural design software and structural analysis software. When the quality of this interoperability is lacking or even non-existent, the efficiency of virtual engineering workflows is hampered, which increases project costs. A McGraw Hill industry survey of professional users of Building Information Modeling (BIM) technologies found that there is high demand for BIM interoperability for structural analysis, but that the value/difficulty ratio is currently too low for practical use. There have been efforts by the academic community to facilitate model data exchange between the architectural design and structural analysis domains, but such solutions have not been widely adopted by industry, face technical challenges, and oftentimes are limited in applicability for users of various BIM software. Therefore, INL is developing capabilities to improve, automate, and generalize model data exchange between architectural BIM software (e.g., Revit) and structural analysis software (e.g., SAP2000, ANSYS). The goal is to help expedite and automate as much of the pre-processing step for creating analytical models in finite element analysis software as reasonably as possible. Such a "BIM-to-FEA" conversion tool should provide direct benefit to end-users through accuracy, automation, quick turn-around, and wide applicability. To generalize the application of this BIM-to-FEA conversion tool and increase its useability among the many different commercial BIM software currently used by industry, the program is being developed with the concept of openBIM. OpenBIM is the application of non-proprietary, open data standards that allow for BIM model data exchange in a format that is accessible, retainable, and useable for all users. The most widely used open, non-proprietary data exchange format for BIM is the Industry Foundation Classes (IFC) schema. IFC is developed by buildingSMART international and is ISO certified (ISO 16739-1:2018). The BIM-to-FEA conversion tool is being developed for compatibility with typical commercial building designs of steel framed structures. The tool is currently capable of importing architectural BIM data of framed building structures, recognizing and extracting the aspects of the model that are required for structural analysis, adjusting the connectivity of frame members, and finally exporting to an analytical model stored in the IFC format. The exported IFC analytical model can then be imported into various openBIM compliant software, such as SAP2000. Such capabilities have already been tested on commercial software, as shown above, and continue to be improved. Work is underway to test the conversion on various commercial BIM software, develop a user-friendly interface, incorporate the program into the broader DeepLynx data warehouse project being developed by INL, and to eventually open-source the tool for the benefit of the community. Future development of the tool envisions the ability for efficient iterative risk assessment of generative building designs, all within a workflow utilizing open-source tools. One such open-source tool will be MOOSE, an advanced finite element analysis tool developed at INL. The conversion tool will also branch out from typical commercial building designs and will aim to incorporate nuclear construction. The aim will be to convert both structural and non-structural components of nuclear facilities, such as curved concrete containment structures and piping systems, respectively.

97 MATHEMATICS AND COMPUTING↗

Consequences of long-term water exposure for bulk crystal structure and surface composition/chemistry of nickel-rich layered oxide materials for Li-ion batteries

Water exposure of layered nickel-rich transition metal oxide electrodes, widely used in high-energy lithium-ion batteries, has detrimental effects on the electrochemical performance, which complicates electrode handling and prevents implementation of environmentally benign aqueous processing procedures. Elucidating the degradation mechanisms in play may help rationally mitigate/circumvent key challenges. Here, the bulk structural consequences of long-term (>2.5 years) deuterated water (D2O) exposure of intercalation materials with compositions Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) and Li x Ni 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) are studied by neutron powder diffraction (NPD). Detailed inspection of the NPD data reveals gradual formation of a secondary crystalline phase in all exposed samples, not previously reported for this system. This unknown phase forms faster in liquid- compared to vapor-exposed compounds. Structural modelling of the NPD data shows a stable level of Li/Ni anti-site defects and does not indicate any significant changes in lattice parameters or hydrogen-lithium (D + /Li + ) exchange in the structure. Consequently, the secondary phase formation must take place via transformation rather than modification of the parent material. X-ray photoelectron spectroscopy data indicate formation of LiHCO 3 /Li 2 CO 3 at the surface and a Li-deficient oxide in the sub-surface region of the pristine compounds, and the presence of adsorbed water and transition metal hydroxides at the exposed sample surfaces.

25 ENERGY STORAGE↗

Facilitating Analysis of Multiple Partial Data Streams

Robotic Operations Automation: Mechanisms, Imaging, Navigation report Generation (ROAMING) is a set of computer programs that facilitates and accelerates both tactical and strategic analysis of time-sampled data especially the disparate and often incomplete streams of Mars Explorer Rover (MER) telemetry data described in the immediately preceding article. As used here, tactical refers to the activities over a relatively short time (one Martian day in the original MER application) and strategic refers to a longer time (the entire multi-year MER missions in the original application). Prior to installation, ROAMING must be configured with the types of data of interest, and parsers must be modified to understand the format of the input data (many example parsers are provided, including for general CSV files). Thereafter, new data from multiple disparate sources are automatically resampled into a single common annotated spreadsheet stored in a readable space-separated format, and these data can be processed or plotted at any time scale. Such processing or plotting makes it possible to study not only the details of a particular activity spanning only a few seconds, but also longer-term trends. ROAMING makes it possible to generate mission-wide plots of multiple engineering quantities [e.g., vehicle tilt as in Figure 1(a), motor current, numbers of images] that, heretofore could be found only in thousands of separate files. ROAMING also supports automatic annotation of both images and graphs. In the MER application, labels given to terrain features by rover scientists and engineers are automatically plotted in all received images based on their associated camera models (see Figure 2), times measured in seconds are mapped to Mars local time, and command names or arbitrary time-labeled events can be used to label engineering plots, as in Figure 1(b).

Maimone, Mark W.↗

Star formation relations in nearby molecular clouds

We test some ideas for star formation relations against data on local molecular clouds. On a cloud by cloud basis, the relation between the surface density of star formation rate and surface density of gas divided by a free-fall time, calculated from the mean cloud density, shows no significant correlation. If a crossing time is substituted for the free-fall time, there is even less correlation. Within a cloud, the star formation rate volume and surface densities increase rapidly with the corresponding gas densities, faster than predicted by models using the free-fall time defined from the local density. A model in which the star formation rate depends linearly on the mass of gas above a visual extinction of 8 mag describes the data on these clouds, with very low dispersion. The data on regions of very massive star formation, with improved star formation rates based on free-free emission from ionized gas, also agree with this linear relation.

79 ASTRONOMY AND ASTROPHYSICS↗

On the Formation of the C{sub 2}H{sub 6}O Isomers Ethanol (C{sub 2}H{sub 5}OH) and Dimethyl Ether (CH{sub 3}OCH{sub 3}) in Star-forming Regions

The structural isomers ethanol (CH{sub 3}CH{sub 2}OH) and dimethyl ether (CH{sub 3}OCH{sub 3}) were detected in several low-, intermediate-, and high-mass star-forming regions, including Sgr B2, Orion, and W33A, with the relative abundance ratios of ethanol/dimethyl ether varying from about 0.03 to 3.4. Until now, no experimental data regarding the formation mechanisms and branching ratios of these two species in laboratory simulation experiments could be provided. Here, we exploit tunable photoionization reflectron time-of-flight mass spectrometry (PI-ReTOF-MS) to detect and analyze the production of complex organic molecules (COMs) resulting from the exposure of water/methane (H{sub 2}O/CH{sub 4}) ices to energetic electrons. The main goal is to understand the formation mechanisms in star-forming regions of two C{sub 2}H{sub 6}O isomers: ethanol (CH{sub 3}CH{sub 2}OH) and dimethyl ether (CH{sub 3}OCH{sub 3}). The results show that the experimental branching ratios favor the synthesis of ethanol versus dimethyl ether (31 ± 11:1). This finding diverges from the abundances observed toward most star-forming regions, suggesting that production routes on interstellar grains to form dimethyl ether might be missing; alternatively, ethanol can be overproduced in the present simulation experiments, such as via radical–radical recombination pathways involving ethyl and hydroxyl radicals. Finally, the PI-ReTOF-MS data suggest the formation of methylacetylene (C{sub 3}H{sub 4}), ketene (CH{sub 2}CO), propene (C{sub 3}H{sub 6}), vinyl alcohol (CH{sub 2}CHOH), acetaldehyde (CH{sub 3}CHO), and methyl hydroperoxide (CH{sub 3}OOH), in addition to ethane (C{sub 2}H{sub 6}), methanol (CH{sub 3}OH), and CO{sub 2} detected from infrared spectroscopy. The yield of all the confirmed species is also determined.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient telemetry format

Format would simplify ground processing of telemetry data. Also, missing minor frame would create error in only one set of source data instead of disrupting all sets. Format organizes data from various sources into autonomous blocks. Data are pre-processed, in effect, so main computer only needs to determine block type and process data set as batch.

Greenberg, E.↗

A New Display Format Relating Azimuth-Scanning Radar Data and All-Sky Images in 3-D

Here we correlate features in a sequence of all-sky images of 630 nm airglow with the three-dimensional (3-D) structure of electron densities in the F region above Arecibo. Pairs of 180 azimuth scans (using the Gregorian and line feeds) of the two-beam incoherent scatter radar (ISR) have been plotted in cone pictorials of the line-of-sight electron densities. The plots include projections of the 630 nm airglow onto the ground using the same spatial scaling as for the ISR data. Selected sequential images from the night of 16-17 June 2004 correlate ionospheric plasma features with scales comparable to the ISR density-cone diameter. The entire set of over 100 images spanning about eight hours is available as a movie. The correlation between the airglow and the electron densities is not unexpected, but the new display format shows the 3-D structures better than separate 2-D plots in latitude and longitude for the airglow and in height and time for the electron densities. Furthermore, the animations help separate the bands of airglow from obscuring clouds and the star field.

Swartz, Wesley E.↗

Modeling and investigative studies of Jovian low frequency emissions

The Voyager data in a newly produced noise-reduced and recalibrated format has been received. New color spectrograms were developed on high resolution color terminals which display this data. The production of these new spectrograms utilizing the new format data is quite important, because it eliminates a serious problem of noise contamination and miscalibration in the old data set. In addition, a new Jovian plasma model was introduced, which includes the Io torus and accounts for 7 ionic species. The new plasma model is important in the ray tracing of hectometric (HOM) and kilometric (KOM) radiation which may be influenced by the Io torus.

Menietti, J. D.↗

Plant iTRAQ-based proteomics

We present a simple one-­pot extraction protocol, which rapidly isolates hydrophyllic metabolites, lipids, and proteins from the same pulverized plant sample. Also detailed is a global plant proteomics sample preparation method utilizing iTRAQ multiplexing reagents that enables deep proteome coverage due to the use of HPLC fractionation of the peptides prior to mass spectrometric analysis. We have successfully used this protocol on several different plant tissues (e.g., roots, stems, leaves) from different plants (e.g., sorghum, poplar, Arabidopsis, soybean), and have been able to successfully detect and quantify thousands of proteins. Multiplexing strategies such as iTRAQ and the bioinformatics strategy outlined here, ultimately provide insight into which proteins are significantly changed in abundance between two or more groups (e.g., control, perturbation). Our bioinformatics strategy yields z-­score values, which normalize the expression data into a format that can easily be cross-­compared with other expression data (i.e., metabolomics, transcriptomics) obtained from different analytical methods and instrumentation.

60 APPLIED LIFE SCIENCES↗

Evolution in the black hole–galaxy scaling relations and the duty cycle of nuclear activity in star-forming galaxies

We measure the location and evolutionary vectors of 69 Herschel-detected broad-line active galactic nuclei (BLAGNs) in the M{sub BH}−M{sub ∗} plane. BLAGNs are selected from the COSMOS and CDF-S fields, and span the redshift range 0.2⩽z<2.1. Black hole masses are calculated using archival spectroscopy and single-epoch virial mass estimators, and galaxy total stellar masses are calculated by fitting the spectral energy distribution (subtracting the BLAGN component). The mass-growth rates of both the black hole and galaxy are calculated using Chandra/XMM-Newton X-ray and Herschel far-infrared data, reliable measures of the BLAGN accretion and galaxy star formation rates, respectively. We use Monte Carlo simulations to account for biases in our sample, due to both selection limits and the steep slope of the massive end of the galaxy stellar-mass distribution. We find our sample is consistent with no evolution in the M{sub BH}−M{sub ∗} relation from z ∼ 2 to z ∼ 0. BLAGNs and their host galaxies which lie off the black hole mass–galaxy total stellar mass relation tend to have evolutionary vectors anti-correlated with their mass ratios: that is, galaxies with over-massive (under-massive) black holes tend to have a low (high) ratio of the specific accretion rate to the specific star formation rate. We also use the measured growth rates to estimate the preferred AGN duty cycle for our galaxies to evolve most consistently onto the local M{sub BH}−M{sub Bul} relation. Under reasonable assumptions of exponentially declining star formation histories, the data suggest a non-evolving (no more than a factor of a few) BLAGN duty cycle among star-forming galaxies of ∼10% (1σ range of 1–42% at z<1 and 2–34% at z>1).

79 ASTRONOMY AND ASTROPHYSICS↗

Oak Ridge Response to Versatile Test Reactor Environmental Impact Statement Data Request

The Versatile Test Reactor (VTR) is a fast-spectrum test reactor being developed in the United States under the direction of the US Department of Energy Office of Nuclear Energy (DOE-NE). The VTR mission is to enable accelerated testing of advanced reactor fuels and materials required for advanced reactor technologies. The conceptual design of the 300 MWth sodium-cooled metallic-fueled pool-type fast reactor has been led by the US National Laboratories in collaboration with General Electric–Hitachi and Bechtel National, Inc. In support of the VTR project, DOE issued a Notice of Intent (NOI) in the Federal Register on August 5, 2019, announcing the intent to prepare an Environmental Impact Statement (EIS) in accordance with the National Environmental Policy Act (NEPA) and its implementing regulations. The EIS will evaluate alternatives for a versatile reactor–based fast-neutron source facility and associated facilities for the preparation, irradiation, and post-irradiation examination (PIE) of test/experimental fuels and materials. Specifically, the NOI identified two siting alternatives for the VTR reactor facility: Idaho National Laboratory (INL) or Oak Ridge National Laboratory (ORNL). In addition, the NOI also specified two siting alternatives for VTR fuel fabrication: INL and the Savannah River Site (SRS). This report provides information in response to data requests made to ORNL to fill in site-specific knowledge gaps to develop a high-quality EIS. The responses provided are not required to provide full details in every aspect; instead, they adequately bound possible environmental impacts or provide sufficient information to adequately assess likely environmental impacts. This work is being performed under a subcontract from INL to ORNL using DOE-NE funds and is directed by DOE-NE and DOE-ID. Leidos has been contracted by DOE-NE to write the VTR EIS, so most data requests have come from Leidos but were often routed through INL or DOE-ID. DOE-ID is overseeing the NEPA and EIS processes for the VTR project. Leidos will use the information provided in this report to inform the VTR EIS and will also cite this document to establish a clear, publicly available source of the information. Section 2 of this report briefly describes the proposed ORNL VTR Alternative and illustrates the location of the proposed site for the ORNL VTR Alternative. Sections 3 through 7 provide direct responses to data requests received by ORNL. These sections use a tabular format in which data requests are divided into separate items to be addressed; the items are numbered, the data requests are restated with more topical information included, and then the responses are provided. Initial data requests and follow-on requests for additional information (RAIs) are combined under the original data request fields. Finally, Section 8 presents summarized conclusions and describes future work.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Release of ENDF/B-VIII.1β1-Based ACE Data Files

On March 1 st , 2023, the National Nuclear Data Center (NNDC) released the ENDF/B-VIII.1β1 nuclear data library, which contained neutron, spontaneous and neutron-induced fission yield, and alpha sublibraries. The library was released in the standard Evaluated Nuclear Data File (ENDF) format. The files can be accessed on Brookhaven National Laboratory’s GitLab. The thermal scattering law (TSL) sublibrary will be released at a later date. The files provided in the neutron sublibrary were processed into A Compact ENDF (ACE)-formatted files, verified, and validated by the XCP-5 Nuclear Data Team. The resulting collection of ACE files will be referred to as the “e81b1” library. This report details the processing of these files and the quality assurance approach taken. This is not intended to be a full validation effort; rather, this library is intended to simply reproduce the released files for further validation testing by the community. The e81b1 ACE library will be released to the NNDC for access through GitLab and hosted locally on LANL computing resources. This library is only intended for analysis to support the future ENDF/B-VIII.1 release and should not be used for production results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Release of ENDF81SaB: ENDF/B-VIII.1-Based ACE Data Files for Thermal Scattering

On August 30, 2024, the National Nuclear Data Center (NNDC) released the ENDF/B-VIII.1 nuclear data library. The library was released in the standard Evaluated Nuclear Data File (ENDF) format. These files can be accessed on the NNDC's website (www.nndc.bnl.gov). The files provided in the thermal neutron scattering sublibrary were processed into A Compact ENDF (ACE)-formatted files, verified, and validated by the XCP-5 Nuclear Data Team, resulting in the ENDF81SaB application library. This report details the processing of these files and the quality assurance approach taken. This is not intended to be a full validation effort; rather, this library is intended to simply reproduce the released files for further validation testing by the community. The validation basis and details of the evaluations are documented in the forthcoming ``Big Paper''.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Getting Started with Evaluations with Means and Uncertainties (EMU 3.0)

One of the most fundamental quantities in nuclear physics is the reaction cross section. A cross section represents the probability that a nuclear reaction will resolve through a given channel given a target nucleus and a projectile with a certain energy. A nuclear evaluation is a set of discrete data and interpolation rules to convert those discrete nuclear reaction data—such as the cross section—into a continuous function at arbitrary energies. Evaluated nuclear data files that can appear in Evaluated Nuclear Data File (ENDF) and Generalized Nuclear Data Structure (GNDS) formats, storing a “most-complete” discretized representation of nuclear data, based on both experimental measurements and theory models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗