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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

UAE6 - Wind Tunnel Tests Data - UAE6 - Sequence R - Raw Data

Sequence R: Step AOA, No Probes (P) This sequence was designed to quantify the effect of the five-hole probes on the 3-D blade static angle-of-attack response in the presence of rotational influences by repeating Sequence K without five-hole probes. This test sequence used an upwind, rigid turbine with a 0° cone angle. The wind speeds ranged from 6 m/s to 20 m/s, and data were collected at yaw angles of 0° and 30°. The rotor rotated at 72 RPM. Blade pressure measurements were collected. The five-hole probes were removed and the plugs were installed. Plastic tape 0.03-mm-thick was used to smooth the interface between the plugs and the blade. The teeter dampers were replaced with rigid links, and these two channels were flagged as not applicable by setting the measured values in the data file to –99999.99 Nm. The teeter link load cell was pre-tensioned to 40,000 N. During post-processing, the probe channels were set to read –99999.99. The blade pitch angle ramped continuously at 0.18°/s over a wide range of increasing and decreasing pitch angles. A step sequence was also performed. The blade pitch was stepped 5°; the flow was allowed to stabilize; and the pitch angle was held for 5 seconds. Then the pitch angle step was repeated. Again, a wide range of pitch angles was obtained, both increasing and decreasing. The file lengths for this sequence varied from 96 seconds to 6 minutes, depending on the pitch angle range. Some short points were collected at 0° yaw and 3° pitch to ascertain the functionality of the instrumentation and repeatability over time. The file name convention used the initial letter R, followed by two digits specifying wind speed, followed by two digits for yaw angle, followed by RU, RD, or ST, followed by the repetition digit. The angle of attack motion was differentiated by RU (ramp up), RD (ramp down), and ST (step down, then step up). This sequence is related to Sequences K and L.

17 WIND ENERGY↗
DOE OSTI2024

Manuscript Workflows from and Processed Organic Matter Composition of Experimentally Burned Open Air and Muffle Furnace Vegetation Chars across Differing Burn Severity and Feedstock Types from Pacific Northwest, USA (v3)

This dataset includes processed organic matter chemistry data from an experimental study designed to compare how the chemical composition of organic matter changes across different burn conditions and vegetation materials representative of major land cover types of the Pacific Northwest, USA. Chars were created in a closed muffle furnace or on an open burn table from four different feedstock species representing vegetation commonly impacted by fire regimes across the Pacific Northwest, USA. Source data and associated metadata (including methods and geospatial information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1894135 (Grieger et al. 2022). This dataset provides processing scripts and processed data for both solid and dissolved phase organic matter characterization data from experimentally generated chars. These processed data can be used to compare how different burn conditions may influence resultant organic matter chemistry and help further our understanding of potential biogeochemical impacts on river corridors post-fire. The processed data were subsequently analyzed; and the results and ecological implications of the findings were published in peer-reviewed manuscripts. The scripts and workflows used to develop the manuscripts are also included in this data package.This data package was originally published June 2024. It was updated September 2024 (new and modified files) and in January 2025 (modified files). See the change history section in the readme for more details.This dataset is comprised of one data package readme, one data dictionary (dd), one file level metadata (flmd), and folders containing (A) processed data; (B) general processing scripts; and (C) additional folders with specific manuscript analysis scripts and processed data. Step-by-step instructions to assist the user in recreating the workflow used to generate the results in the manuscripts is also provided. The processed data folder includes (1) a folder of processed Parallel Factor Analysis (PARAFAC) and spectra indices outputs from excitation emissions matrix (EEM) fluorescence and absorbance data; (2) a folder of processed solid state carbon-13 (13-C NMR) integrals; (3) folder of high resolution characterization of organic matter via 21 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) processed data outputs from Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude), blank corrections and data aggregation, and calculated molecular indices. All files are .pdf, .csv, .html, .Rmd, .R, or .RData.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2005

Virtual Machine Language

Virtual Machine Language (VML) is a mission-independent, reusable software system for programming for spacecraft operations. Features of VML include a rich set of data types, named functions, parameters, IF and WHILE control structures, polymorphism, and on-the-fly creation of spacecraft commands from calculated values. Spacecraft functions can be abstracted into named blocks that reside in files aboard the spacecraft. These named blocks accept parameters and execute in a repeatable fashion. The sizes of uplink products are minimized by the ability to call blocks that implement most of the command steps. This block approach also enables some autonomous operations aboard the spacecraft, such as aerobraking, telemetry conditional monitoring, and anomaly response, without developing autonomous flight software. Operators on the ground write blocks and command sequences in a concise, high-level, human-readable programming language (also called VML ). A compiler translates the human-readable blocks and command sequences into binary files (the operations products). The flight portion of VML interprets the uplinked binary files. The ground subsystem of VML also includes an interactive sequence- execution tool hosted on workstations, which runs sequences at several thousand times real-time speed, affords debugging, and generates reports. This tool enables iterative development of blocks and sequences within times of the order of seconds.

Grasso, Christopher↗
NASA NTRS1975

Table-aided design of the energy-storage reactor in dc-to-dc converters

A new procedure for the selection of magnetic cores for use in energy-storage dc-to-dc power converters which eliminates the need for an automated computer search algorithm and stored data file is presented. The converter configurations included in the procedure are the three commonly encountered single-winding converters for voltage step-up, for current step-up and for voltage step-up/current step-up, and for the two-winding converter for voltage step-up/current step-up. For each converter configuration, three types of controllers are considered - constant-frequency, constant on-time and constant off-time. Using concepts developed from analyses of these converters by considering the transfer of energy by means of an energy-storage inductor or transformer, a special table of parameters calculated from magnetic core data is constructed and leads to a considerably simplified design procedure.

Owen, H. A., Jr.↗
DOE OSTI2023

A Processing and Analytics System for Microscopy Data Workflows: The Pycroscopy Ecosystem of Packages

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopy techniques. Despite the considerable proliferation of these instruments, significant bottlenecks remain in terms of processing, analysis, storage, and retrieval of the acquired datasets. Aside from lack of file standards, individual domain-specific analysis packages are often disjoint from the underlying datasets, and thus keeping track of analysis and processing steps remains tedious for the end-user, hampering reproducibility. Here, in this study, the pycroscopy ecosystem of packages is introduced, an open-source python-based ecosystem underpinned by a common data model. The data model, termed the N-dimensional spectral imaging data format, is realized in pycroscopy's sidpy package. This package is built on top of dask arrays, thus leveraging dask array attributes, but expanding them to accelerate microscopy relevant analysis and visualization. Several examples of the use of the pycroscopy ecosystem to create workflows for data ingestion and analysis of scanning transmission electron microscopy (STEM) and scanning probe microscopy data are shown. Adoption of such standardized routines will be critical to usher in the next generation of autonomous instruments where processing, computation, and meta-data storage will be critical to overall experimental operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Electric field effect on lattice dynamics of a relaxor ferroelectric PMN-30PT measured on ARCS.

The combined inelastic neutron scattering data from ARCS for poled PMN-30PT single crystal is at 300K and for unpoled crystal the data were collected at 300K and at 488K. The incident neutron energy for both poled and unpoled crystals was 25 meV . To obtain a significant four-dimensional Q-E volume, the crystal was rotated with steps of 0.5 degree in the beam. All individual angles were combined using HORACE software package (https://pace-neutrons.github.io/Horace/unstable/user_guide/Getting_started.html) to generate these sqw files. The file labeled PMN_PT_poled_new.sqw is for poled crystal and files labeled PMN_PT_300K.sqw and PMN_PT_488K.sqw are for unpoled crystal at 300K and 488K respectively.

MATERIALS SCIENCE↗
DOE OSTI2026

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - Simulated Marine Hydrokinetic Tidal Turbine

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis, hydrogen compression and storage, and variable hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) initiative. This dataset is part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with other energy technologies. This dataset contains inputs and outputs from simulations of a floating marine hydrokinetic turbine over approximately half a tidal cycle (~6.6 hours). Inflow conditions were derived from field measurements in Alaska’s Cook Inlet and represent a tidal environment in which the current speed ramps from near 0 m/s to a peak of 3 m/s and back. The original acoustic doppler current profiler dataset is publicly available on the Marine and Hydrokinetic Data Repository. In a full tidal cycle, the flow reverses and the rotor would reorient; this reversal was not modeled. In the Cook Inlet campaign , turbulence intensity was similar in both directions. Two inflow cases are included. In the first case, labeled “raw” in the files, the measured current time series was used directly in the InflowWind module of OpenFAST. Speed and direction were applied as a function of time and elevation, uniformly in the horizontal direction. With full spatial coherence, this approach captures high turbulent variability and results in pronounced power fluctuations, so it is considered a conservative, near-worst-case representation of loading. In the second case, labeled “average” in the files, a 30-minute moving average was applied to extract the slowly varying mean speed. The residual fluctuations about this mean were used to generate spatially varying, full-field turbulence inputs with TurbSim, giving a more physically realistic representation of the inflow across the rotor disk. Two random realizations were used to produce distinct inflow conditions for two OpenFAST simulations representing a two-turbine array. The same turbulence intensity is applied across the full time series, producing larger fluctuations at the start and end, where the mean speed is low. The second case is the more appropriate framework for performance and power assessment but overpredicts turbulence at lower flow speeds and underpredicts it at higher speeds. As the floating platform moves and the rotor changes its x-position, Taylor’s frozen turbulence hypothesis used by InflowWind assumes a constant rather than a time-varying mean velocity, introducing some inaccuracy in the velocity plane sampling. The turbine modeled is the 500-kW Reference Model 1, a horizontal-axis two-bladed hydrokinetic turbine on a four-column floating semisubmersible substructure . Simulations were performed using OpenFAST v4.1 with the Reference Open Source Controller (ROSCO) v2.10. All input files required to reproduce the simulations are included. The electrolyzer is a 1.25-MW proton exchange membrane type MC250 system manufactured by Nel . This unit supports up to 2.5 MW, but NLR has only a single 1.25-MW stack. The datasets report hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. The system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operating current of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The simulated tidal turbine time series data was translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz. Each zip file represents a single tidal electrolysis experiment and is named: {technology}_{inflow method}_{number of 500 kW tidal turbines connected} For instance, “tidal-500kW-RM1_average_2.zip” is a 6-hour experiment using the 500-kW tidal reference model, scaled by 2x (1-MW) to better match the electrolyzer maximum of 1.25MW, fed with the 30-minute moving average current case. Each zip folder contains the following files: A .csv file of raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production in kilograms per hour, electrolysis power consumption, and input wave power. A .csv file combines all tidal profiles as "combined_tidal_experiments.csv." A separate experiment, “characterization_200.zip,” shows the MC250 electrolyzer steady-state response with 30-minute load steps over 5 hours and is accessible with this entry.

08 HYDROGEN↗
NASA NTRS1993

Phase holograms in PMMA with proximity effect correction

Complex computer generated phase holograms (CGPH's) have been fabricated in PMMA by partial e-beam exposure and subsequent partial development. The CGPH was encoded as a sequence of phase delay pixels and written by the JEOL JBX-5D2 E-beam lithography system, a different dose being assigned to each value of phase delay. Following carefully controlled partial development, the pattern appeared rendered in relief in the PMMA, which then acts as the phase-delay medium. The exposure dose was in the range 20-200 micro-C/sq cm, and very aggressive development in pure acetone led to low contrast. This enabled etch depth control to better than plus or minus lambda(sub vis)/60. That result was obtained by exposing isolated 50 micron square patches and measuring resist removal over the central area where the proximity effect dose was uniform and related only to the local exposure. For complex CGPH's with pixel size of the order of the e-beam proximity effect radius, the patterns must be corrected for the extra exposure caused by electrons scattered back up out of the substrate. This has been accomplished by deconvolving the two-dimensional dose deposition function with the desired dose pattern. The deposition function, which plays much the same role as an instrument response function, was carefully measured under the exact conditions used to expose the samples. The devices fabricated were designed with 16 equal phase steps per retardation cycle, were up to 1 cm square, and consisted of up to 100 million 0.3-2.0 micron square pixels. Data files were up to 500 MB long and exposure times ranged to tens of hours. A Fresnel phase lens was fabricated that had diffraction limited optical performance with better than 85 percent efficiency.

Maker, Paul D.↗
NASA NTRS2006

Time Relevance of Convective Weather Forecast for Air Traffic Automation

The Federal Aviation Administration (FAA) is handling nearly 120,000 flights a day through its Air Traffic Management (ATM) system and air traffic congestion is expected to increse substantially over the next 20 years. Weather-induced impacts to throughput and efficiency are the leading cause of flight delays accounting for 70% of all delays with convective weather accounting for 60% of all weather related delays. To support the Next Generation Air Traffic System goal of operating at 3X current capacity in the NAS, ATC decision support tools are being developed to create advisories to assist controllers in all weather constraints. Initial development of these decision support tools did not integrate information regarding weather constraints such as thunderstorms and relied on an additional system to provide that information. Future Decision Support Tools should move towards an integrated system where weather constraints are factored into the advisory of a Decision Support Tool (DST). Several groups such at NASA-Ames, Lincoln Laboratories, and MITRE are integrating convective weather data with DSTs. A survey of current convective weather forecast and observation data show they span a wide range of temporal and spatial resolutions. Short range convective observations can be obtained every 5 mins with longer range forecasts out to several days updated every 6 hrs. Today, the short range forecasts of less than 2 hours have a temporal resolution of 5 mins. Beyond 2 hours, forecasts have much lower temporal. resolution of typically 1 hour. Spatial resolutions vary from 1km for short range to 40km for longer range forecasts. Improving the accuracy of long range convective forecasts is a major challenge. A report published by the National Research Council states improvements for convective forecasts for the 2 to 6 hour time frame will only be achieved for a limited set of convective phenomena in the next 5 to 10 years. Improved longer range forecasts will be probabilistic as opposed to the deterministic shorter range forecasts. Despite the known low level of confidence with respect to long range convective forecasts, these data are still useful to a DST routing algorithm. It is better to develop an aircraft route using the best information available than no information. The temporally coarse long range forecast data needs to be interpolated to be useful to a DST. A DST uses aircraft trajectory predictions that need to be evaluated for impacts by convective storms. Each time-step of a trajectory prediction n&s to be checked against weather data. For the case of coarse temporal data, there needs to be a method fill in weather data where there is none. Simply using the coarse weather data without any interpolation can result in DST routes that are impacted by regions of strong convection. Increasing the temporal resolution of these data can be achieved but result in a large dataset that may prove to be an operational challenge in transmission and loading by a DST. Currently, it takes about 7mins retrieve a 7mb RUC2 forecast file from NOAA at NASA-Ames Research Center. A prototype NCWF6 1 hour forecast is about 3mb in size. A Six hour NCWFG forecast with a 1hr forecast time-step will be about l8mb (6 x 3mb). A 6 hour NCWF6 forecast with a l5min forecast time-step will be about 7mb (24 x 3mb). Based on the time it takes to retrieve a 7mb RUC2 forecast, it will take approximately 70mins to retrieve a 6 hour NCWF forecast with 15min time steps. Until those issues are addressed, there is a need to develop an algorithm that interpolates between these temporally coarse long range forecasts. This paper describes a method of how to use low temporal resolution probabilistic weather forecasts in a DST. The beginning of this paper is a description of some convective weather forecast and observation products followed by an example of how weather data are used by a DST. The subsequent sections will describe probabilistic forecasts followed by a descrtion of a method to use low temporal resolution probabilistic weather forecasts by providing a relevance value to these data outside of their valid times.

Chan, William N.↗
NASA NTRS1992

Phase holograms in polymethyl methacrylate

A procedure is described for the fabrication of complex computer-generated phase holograms in polymethyl methacrylate (PMMA) by means of partial-exposure e-beam lithography and subsequent carefully controlled partial development. Following the development, the pattern appears (rendered in relief) in the PMMA, which then acts as the phase-delay medium. The devices fabricated were designed with 16 equal phase steps per retardation cycle, were up to 3 mm square, and consisted of up to 10 millions of 0.3-2.0-micron square pixels. Data files were up to 60 Mb-long, and the exposure times ranged to several hours. A Fresnel phase lens was fabricated with a diffraction-limited optical performance of 83-percent efficiency.

Maker, P. D.↗
DOE OSTI2020

Jefferson Laboratory C100 Superconducting Radio-Frequency Cavity Fault Data, 2020

The dataset was created to train machine learning models for the task of identifying the (1) cavity and (2) fault type from C100-type cryomodules at the Thomas Jefferson National Accelerator Facility (Jefferson Lab), thereby replacing the time-consuming efforts of a subject matter expert. Superconducting radio-frequency (SRF) cavity trips represent a significant source of accelerator downtime. Real-time – rather than post-mortem – identification of the offending cavity and classification of the fault type would give control room operators valuable feedback for corrective action planning. The anticipated benefit is increased beam-on-target time for users and provides performance metrics that can be used to improve future cavity designs. A series of 17 RF signals are recorded for each of the 8 cavities in a C100 cryomodule every time a cavity trips. These time-series signals are written to file using a specially designed data acquisition system. The dataset represents fault events recorded during Continuous Electron Beam Accelerator Facility (CEBAF) beam operations between January 18, 2019 and March 9, 2020. The following filtering steps were applied to collected data; (1) only 4 of the 17 signals per cavity are retained (GMES, GASK, CRFP, DETA2) (2) only events with data from each of the eight cavities in the cryomodule are kept, (3) only events that were sampled at 5 kHz were kept, (4) events from cryomodule 0L04 were neglected, (5) events occurring between February 4, 3PM and February 5, 12PM were neglected. As a result of preprocessing, the dataset is comprised of 2,375 unique events. The full dataset is comprised of three files: features.csv, cavity_labels.csv, fault_labels.csv. Each instance in faults.csv includes a timestamp (“date_time”), a label for the cryomodule which experienced the trip (“zone_label”), and 192 features (“feature_1”, “feature_2”... “feature_192”). The features correspond to 6 autoregressive features for each of 4 signals per cavity for each of the 8 cavities (6 × 4 signals/cavity × 8 cavities/cryomodule = 192). To deal with the large variation of signal amplitudes, time-series standardization via the z-score (standard score) function was applied prior to computing the features. For each instance, there is an associated label for the (1) cavity which faulted first (cavity_labels.csv) and (2) the type of fault that caused the trip (fault_labels.csv). The cavity identification can take values of [0, 1, 2, 3, 4, 5, 6, 7, 8] and the fault type can take values of [‘Microphonics’, ‘Quench_100ms’, ‘Controls_Fault’, ‘E_Quench’, ‘Quench_3ms’, ‘Single_Cav_Turn_Off’ , ‘Heat_Riser_Choke’, ‘Multi_Cav_Turn_Off’].

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Development of a Griffin model of the advanced test reactor

In the pursuit of a higher fidelity deterministic simulation capability of the Advanced Test Reactor, it is important to have a fast yet accurate deterministic neutronics model. Here, to achieve this, we employed an advanced two-step method. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor physics application based on the Multiphysics Object-Oriented Simulation Environment (MOOSE). To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material identifications are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Initial comparisons using the Griffin diffusion solver indicated good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 10 pcm in the 2D geometry configuration; it was later determined that this agreement was likely due to compensating effect and was more likely on the order of –700 pcm relative to the OpenMC solution. However, in three-dimensional calculations, an unacceptably large error (almost 8,000 pcm) was found in the Griffin solution with the diffusion solver. Subsequent calculations using Griffin’s discrete ordinates solver demonstrated substantially improved agreement, within 116 pcm of the OpenMC solution used to generate the cross sections for Griffin. Building on this capability, future work will seek to perform more detailed validation calculations. The ultimate goal is to evaluate both transient and multiphysics simulations of the reactor.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Simplifying and Visualizing the Ontology of Systems Engineering Models

The credibility of an engineering model is of critical importance in large-scale projects. How concerned should an engineer be when reusing someone else's model when they may not know the author or be familiar with the tools that were used to create it? In this report, the authors advance engineers' capabilities for assessing models through examination of the underlying semantic structure of a model--the ontology. This ontology defines the objects in a model, types of objects, and relationships between them. In this study, two advances in ontology simplification and visualization are discussed and are demonstrated on two systems engineering models. These advances are critical steps toward enabling engineering models to interoperate, as well as assessing models for credibility. For example, results of this research show an 80% reduction in file size and representation size, dramatically improving the throughput of graph algorithms applied to the analysis of these models. Finally, four future problems are outlined in ontology research toward establishing credible models--ontology discovery, ontology matching, ontology alignment, and model assessment.

42 ENGINEERING↗
DOE OSTI2022

Decay Curve Correction Analysis Report

The decay curve analysis that is done on the short-lived radionuclide gas samples is used to differentiate between gaseous radionuclides that have the same characteristic gamma decay energy, 511 kiloelectron-volts (keV). A sample of stack gas is isolated and the total counts in the 511 keV peak are counted repeatedly in 10-second intervals to evaluate the decay rate of the sample over time. Analysis of this decay data required a series of steps. First, a raw data report is generated by the gamma acquisition system, based on an analysis template within the acquisition software. The data report file was then loaded into Microsoft Word, and a macro was used to perform minor formatting (remove colons and insert tabs between data columns) to allow analysis within Excel. The file is then saved as a text file at this point. The text file is then uploaded into Excel and a series of macros are used to add labels, calculate radioactive decay constants, and analyze the gamma decay data using linear regression techniques. The analysis template has been used since 1998 for stack 53000303 (TA-53, building 0003, exhaust stack 03) and 2000 for stack 53000702. The overall process, including the gamma report format and the macros used in Word and Excel for processing the report, had remained unchanged until 2015. In October of 2015, staff made a change to the report template in the gamma acquisition software which resulted in an error in the calculations later performed by the Excel macro. This error was not caught until a more in-depth review of the analysis took place regarding 2020 data. This report covers a much more complete review of the issue that occurred regarding the decay curve analysis, a review of the calculations completed to correct the issue, a review of the updated decay curve analysis process, and recommendations for moving forward.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Modeling of the Advanced Test Reactor Using OpenMC, Cubit and Griffin

In the pursuit of the ability to perform multiphysics simulations of the Advanced Test Reactor, it is crucial to have a fast and highly accurate deterministic model. To achieve this, a contemporary two-step method is employed. The first step involves generating homogenized cross sections using OpenMC, a cutting-edge Monte Carlo neutron transport code. OpenMC offers excellent modular capabilities, allowing for easy component integration and flexibility in incorporating new designs into the model. The second step involves deterministic transport calculations, which are performed using Griffin, a reactor multiphysics application based on the Multiphysics Object-Oriented Simulation Environment. To ensure the accurate spatial resolution and assignment of material cross sections, a Cubit-generated mesh for the Advanced Test Reactor is utilized as an intermediate step between the OpenMC and Griffin models; Griffin utilizes the mesh for its finite element solution, while OpenMC material IDs are written to the mesh file to be used in Griffin material assignments. Additionally, a Python-based script converts the cross sections generated by OpenMC into the ISOXML format required by Griffin. Preliminary comparisons indicate good agreement between the neutron multiplication factors obtained from the standalone OpenMC model and the Griffin model, with differences of less than 50 pcm in the two-dimensional geometry configuration. However, in three-dimensional calculations, an unacceptably large error is found in the Griffin solution. Future work is planned to resolve this discrepancy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2023

Pypromice: A Python Package for Processing Automated Weather Station Data

The pypromice Python package is for processing and handling observation datasets from automated weather stations (AWS). It is primarily aimed at users of AWS data from the Geological Survey of Denmark and Greenland (GEUS), which collects and distributes in situ weather station observations to the cryospheric science research community. Functionality in pypromice is primarily handled using two key open-source Python packages, xarray (Hoyer & Hamman, 2017) and pandas (The pandas development team, 2020). A defined processing workflow is included in pypromice for transforming original AWS observations (Level 0, L0) to a usable, CF-convention-compliant dataset (Level 3, L3) (Figure 1). Intermediary processing levels (L1,L2) refer to key stages in the workflow, namely the conversion of variables to physical measurements and variable filtering (L1), cross-variable corrections and user-defined data flagging and fixing (L2), and derived variables (L3). Information regarding the station configuration is needed to perform the processing, such as instrument calibration coefficients and station type (one-boom tripod or two-boom mast station design, for example), which are held in a toml configuration file. Two example configuration files are provided with pypromice , which are also used in the package’s unit tests. More detailed documentation of the AWS design, instrumentation, and processing steps are described in Fausto et al. (2021).

pypromice↗
DOE OSTI2021

Low-Energy Reactions of the n+ 233 U Nuclear Compound System and Its Initial Validation

The strong negative gradient as a function of the epithermal fission fraction (FEPIT) observed in both Evaluated Nuclear Data File (ENDF)/B-VII.1 and ENDF/B-VIII.0 nuclear data libraries poses new challenges for the verification of the n+ 233 U nuclear compound system, especially in the low energy range. The aim of this paper is to summarize the steps forward to consistently update the 233 U evaluated nuclear data to attain improved performance in benchmark calculations; this work is described in detail in a forthcoming paper by Pigni et al.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

ORNL_AISD_NiPt_108atoms

This dataset describes the nickel-platinum (NiPt) solid solution binary alloy, where the two constituent elements nickel (Ni) and platinum (Pt) are randomly placed on the face centered cubic (FCC) crystal structure, with the lattice constant of 3.840 angstroms. The dataset comprises data for crystal structures with 108 atoms with 1,900 configurations. The data set was generated for concentrations ranging from 0at% of Pt to 100at% of Pt in the NiPt binary system, with increasing the concentration of Pt in the system every 5at%. For each one of the chemical compositions, 100 random configurations were generated, each with a different random seed. Each of the output files contains the mass, type, atomic coordinates, energy per atom, and forces in x, y, and z directions respectively. For each atomic configuration, the output was collected every 150 steps during the minimization stage and every 1000 steps during the replica exchange stage. Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) [1], which is a molecular dynamics code, was used to generate data for NiPt alloy. The simulation used the interatomic potential for NiPt binary system 'MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001' [3] from the OpenKIM library (Open Knowledgebase of Interatomic Models) [2]. This potential was developed based on the second nearest-neighbor modified embedded-atom method (2NN MEAM). The simulation process begins with the generation of the random NiPt structure and follows with the short minimization and replica exchange simulation. The minimization procedure adjusts atomic coordinates and performs energy minimization, which typically leads to a local potential energy minimum. The method used for the minimization was the conjugate gradient algorithm. A short replica exchange (parallel tempering) simulation involves four replicas (ensembles) of a system and follows the minimization stage. Multiple snapshots of the configuration were collected during the minimization and replica exchange stages. NiPt alloy is interesting due to its magnetic and charge transfer properties [4]. The data is provided in a compressed zipped folders atoms108.zip. The zipped folder contains the data structured in the following way: - Ni_ground_state.cfg --> atomic configuration for the pure nickel - Pt_ground_state.cfg --> atomic configuration for the pure platinum - Pt#_filtered --> folders containing atomic configurations for #at% concentration of platinum. The folder contains 100 atomic configurations, each saved in a subfolder - Each subfolder named config* is associated with a specific atomic configuration. Each of these subfolders contains files with .cfg format, corresponding to outputs for each atomic configuration The total number of atomic configurations contained in atoms108.zip is 66,132. This dataset is an extension to the dataset ORNL_AISD_NiPt [5] that has been previously released with crystal structures of 256 atoms, 864 atoms, and 2,048 atoms, with the same methodology for data collection. References [1] https://www.lammps.org/ [2] https://openkim.org/ [3] https://openkim.org/id/MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 [4] El-Gendy, Ahmed A. and Hampel, Silke and Büchner, Bernd and Klingeler, Rüdiger, Tuneable magnetic properties of carbon-shielded NiPt-nanoalloys, RSC Adv., volume 6, issue 57, pages 52427-52433, 2016, The Royal Society of Chemistry, doi:10.1039/C6RA05910D [5] M. Karabin, M. Lupo Pasini, and M. Eisenbach. ORNL_AISD_NiPt. United States: N. p., 2023. Web. doi:10.13139/OLCF/1958172.

36 MATERIALS SCIENCE↗