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DOE OSTI2022

Sample IEEE123 Bus system for OEDI SI

Time series load and PV data from an IEEE123 bus system. An example electrical system, named the OEDI SI feeder, is used to test the workflow in a co-simulation. The system used is the IEEE123 test system, which is a well studied test system (see link below to IEEE PES Test Feeder), but some modifications were made to it to add some solar power modules and measurements on the system. The aim of this project is to create an easy-to-use platform where various types of analytics can be performed on a wide range of electrical grid datasets. The aim is to establish an open-source library of algorithms that universities, national labs and other developers can contribute to which can be used on both open-source and proprietary grid data to improve the analysis of electrical distribution systems for the grid modeling community. OEDI Systems Integration (SI) is a grid algorithms and data analytics API created to standardize how data is sent between different modules that are run as part of a co-simulation. The readme file included in the S3 bucket provides information about the directory structure and how to use the algorithms. The sensors.json file is used to define the measurement locations.

123 bus↗

DOE OSTI2023

Galactic ArchaeoLogIcaL ExcavatiOns (GALILEO) II. t-SNE portrait of local fossil relics and structures

Based on high-quality Apache Point Observatory Galactic Evolution Experiment (APOGEE) DR17 and Gaia DR3 data for 1742 red giants stars within 5 kpc of the Sun and not rotating with the Galactic disk (V φ < 100 km s -1 ), we used the nonlinear technique of unsupervised analysis t-Distributed Stochastic Neighbor Embedding (t-SNE) to detect coherent structures in the space of ten chemical-abundance ratios: [Fe/H], [O/Fe], [Mg/Fe], [Si/Fe], [Ca/Fe], [C/Fe], [N/Fe], [Al/Fe], [Mn/Fe], and [Ni/Fe]. Additionally, we obtained orbital parameters for each star using the nonaxisymmetric gravitational potential GravPot16. Seven structures are detected, including Splash, Gaia-Sausage-Enceladus (GSE), the high-α heated-disk population, N-C-O peculiar stars, and inner disk-like stars, plus two other groups that did not match anything previously reported in the literature, here named Galileo 5 and Galileo 6 (G5 and G6). These two groups overlap with Splash in [Fe/H], with G5 having a lower metallicity than G6, and they are both between GSE and Splash in the [Mg/Mn] versus [Al/Fe] plane, with G5 being in the α-rich in situ locus and G6 on the border of the α-poor in situ one. Nonetheless, their low [Ni/Fe] hints at a possible ex situ origin. Their orbital energy distributions are between Splash and GSE, with G5 being slightly more energetic than G6. We verified the robustness of all the obtained groups by exploring a large range of t-SNE parameters, applying it to various subsets of data, and also measuring the effect of abundance errors through Monte Carlo tests.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Pre-Transient Characterization of Historic EBR-II Pins for Transient Testing

Current interest in sodium-cooled fast reactor (SFR) designs, such as TerraPower’s Natrium Reactor, has highlighted the need for advanced reactor fuel technology development. Modern U-Zr and U- Pu-Zr pin designs are primary candidates to fuel SFRs and boast high fuel utilization capacity, increased fuel-cladding compatibility, and improved safety through inherent feedback mechanisms. Despite over 60 years of metallic fuel irradiation, uncertainties exist in the performance of the fuel system, particularly under transient overpower (TOP) and loss of flow (LOF) scenarios. Throughout historical testing within the Experimental Breeder Reactor II (EBR-II) and the Fast Flux Test Facility (FFTF), fuel behavior has demonstrated benign response to transient reactor conditions; however, accurate predictions of failure thresholds to inform operational limitations rely heavily on fuel composition, burnup, and irradiation history. In expanding TOP and LOF testing, the Transient Heat sink Overpower Response (THOR) Capsule will be used to test modern fuel technologies in a static sodium environment in the Transient Reactor Test (TREAT) Facility. The THOR capsule is highly instrumented and will provide time-dependent thermal behavior of SFR fuel pins subjected to accident conditions within TREAT. The THOR-Metallic (THOR- M) campaign aims to validate and expand historical TOP and LOF testing on high burnup U-Zr and U-Pu- Zr fuel alloys previously irradiated in EBR-II by running the rods to failure. This contribution focuses primarily on the pre-transient engineering-scale destructive and non- destructive characterization that has been conducted on both the test and sibling pins used for the TOP and LOF tests. All pins underwent visual examination, neutron radiography, element contact profilometry, and precise gamma scan. The sibling pins used for each test were further analyzed using gas assay, sampling, and recharge analysis (GASR), and optical microscopy. The results from each technique confirmed that the fuel pins were intact and devoid of any atypical developments when compared to historical data. Additionally, the analyzed measurements establish a baseline for comparison to post-transient analysis. Key fuel behaviors quanitifed include axial elongation of the fuel column, diametral strain of the pin, patterns in fluff structure geometry, changes in axial isotope distribution, evolution of constituent redistribution, porosity, and fission gas release. The pre-transient measurements and changes attributed to transient behavior from post-transient measurement will be compared to historical data to capture the behavioral dependence on composition, burnup, and irradiation history. Results from this work advance the initiatives of the THOR-M campaign, which aid in informing fuel performance models and establishing safety criteria for SFR operational limits. The novel combination of test environment, in-situ instrumentation, and comprehensive suite of characterization methods provides greater understanding of transient fuel behavior. Overall, information on the time and condition of pin failure for high burnup U-Pu-Zr will greatly expand the limited existing TOP and LOF test data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Pre-Transient Characterization of Historic EBR-II Pins for Transient Testing

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1998

Empirical Mode Decomposition and Hilbert Spectral Analysis

The difficult facing data analysis is the lack of method to handle nonlinear and nonstationary time series. Traditional Fourier-based analyses simply could not be applied here. A new method for analyzing nonlinear and nonstationary data has been developed. The key part is the Empirical Mode Decomposition (EMD) method with which any complicated data set can be decomposed into a finite and often small number of Intrinsic Mode Functions (IMF) that serve as the basis of the representation of the data. This decomposition method is adaptive, and, therefore, highly efficient. The IMFs admit well-behaved Hilbert transforms, and yield instantaneous energy and frequency as functions of time that give sharp identifications of imbedded structures. The final presentation of the results is an energy-frequency-time distribution, designated as the Hilbert Spectrum. Among the main conceptual innovations is the introduction of the instantaneous frequencies for complicated data sets, which eliminate the need of spurious harmonics to represent nonlinear and nonstationary signals. Examples from the numerical results of the classical nonlinear equation systems and data representing natural phenomena are given to demonstrate the power of this new method. The classical nonlinear system data are especially interesting, for they serve to illustrate the roles played by the nonlinear and nonstationary effects in the energy-frequency-time distribution.

Huang, Norden E.↗

NASA NTRS2006

NavP: Structured and Multithreaded Distributed Parallel Programming

This slide presentation reviews some of the issues around distributed parallel programming. It compares and contrast two methods of programming: Single Program Multiple Data (SPMD) with the Navigational Programming (NAVP). It then reviews the distributed sequential computing (DSC) method and the methodology of NavP. Case studies are presented. It also reviews the work that is being done to enable the NavP system.

parallel programming↗

NASA NTRS2004

Arctic Strato-Mesospheric Temperature and Wind Variations

Upper stratosphere and mesosphere rocket measurements are actively used to investigate interaction between the neutral, electrical, and chemical atmospheres and between lower and upper layers of these regions. Satellite temperature measurements from HALOE and from inflatable falling spheres complement each other and allow illustrations of the annual cycle to 85 km altitude. Falling sphere wind and temperature measurements reveal variability that differs as a function of altitude, location, and time. We discuss the state of the Arctic atmosphere during the summer 2002 (Andoya, Norway) and winter 2003 (ESRANGE, Sweden) campaigns of MaCWAVE. Balloon-borne profiles to 30 km altitude and sphere profiles between 50 and 90 km show unique small-scale structure. Nonetheless, there are practical implications that additional measurements are very much needed to complete the full vertical profile picture. Our discussion concentrates on the distribution of temperature and wind and their variability. However, reliable measurements from other high latitude NASA programs over a number of years are available to help properly calculate mean values and the distribution of the individual measurements. Since the available rocket data in the Arctic's upper atmosphere are sparse the results we present are basically a snapshot of atmospheric structure.

Schmidlin, F. J.↗

NASA NTRS2008

Gamma-Ray Burst Afterglows as Probes of Environment and Blast Wave Physics. II. The Distribution of rho and Structure of the Circumburst Medium

We constrain blast wave parameters and the circumburst media ofa subsample of 10 BeppoSAX gamma-ray bursts (GRBs). For this sample we derive the values of the injected electron energy distribution index, p, and the density structure index of the circumburst medium, k, from simultaneous spectral fits to their X-ray, optical, and NIR afterglow data. The spectral fits have been done in count space and include the effects ofmetallicity, and are compared with the previously reported optical and X-ray temporal behavior. Using the blast wave model and some assumptions which include on-axis viewing and standard jet structure, constant blast wave energy, and no evolution of the microphysical parameters, we find a mean value ofp for the sample as a whole of 9.... oa -0.003.0" 2 a_ statistical analysis of the distribution demonstrates that the p-values in this sample are inconsistent with a single universal value forp at the 3 _ level or greater, which has significant implications for particle acceleration models. This approach provides us with a measured distribution ofcircumburst density structures rather than considering only the cases of k ----0 (homogeneous) and k - 2 (windlike). We find five GRBs for which k can be well constrained, and in four of these cases the circumburst medium is clearly windlike. The fifth source has a value of 0 < k < 1, consistent with a homogeneous circumburst medium.

Starling, R. L. C.↗

DOE OSTI2023

The Contribution of Subtropical Moisture Within an Atmospheric River on Moisture Flux, Cloud Structure, and Precipitation Over the Salmon River Mountains of Idaho Using Moisture Tracers

The impact of an atmospheric river (AR) on the flux of subtropical moisture across Idaho's Salmon River Mountains and precipitation over the mountains is evaluated using the Weather, Research, and Forecasting model with water vapor tracers (WRF-WVT). The AR impacted Idaho between 17 and 19 January 2017 during the Seeded and Natural Orographic Wintertime Clouds: The Idaho Experiment (SNOWIE) campaign. WRF-WVT is configured to isolate the subtropical moisture contribution to the AR, the moisture flux, and precipitation. Subtropical water vapor advected by the AR into Idaho is tagged and tracked in three-dimensional space throughout the run. This allows the contribution of the subtropical moisture to the vertical distribution of water vapor and the precipitation to be directly calculated. The simulated cloud structure is compared with airborne radar data collected during two SNOWIE intensive operation periods. This study found that more than 70% of the moisture flux and more than 80% of the precipitation across the Idaho Mountains during SNOWIE IOP 4 could be attributed to subtropical moisture within the AR. Nearly all of the moisture flux in the upper cloud and 50% of the moisture in the lower cloud was attributable to the subtropical moisture. The subtropical moisture contribution within the AR to precipitation ranged from 35% in northern Idaho to more than 90% in southern Idaho. Across the entire period of impact of the AR, more than 60% of precipitation in Idaho was attributable to the subtropical moisture within the AR, with this percentage increasing toward the south across the state.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Materials structure–property factorization for identification of synergistic phase interactions in complex solar fuels photoanodes

Abstract Properties can be tailored by tuning composition in high-order composition spaces. For spaces with complex phase behavior, modeling the properties as a function of composition and phase distribution remains a formidable challenge. We present materials structure–property factorization (MSPF) as an approach to automate modeling of such data and identify synergistic phase interactions. MSPF is an interpretable machine learning algorithm that couples phase mapping via Deep Reasoning Networks (DRNets) to matrix factorization-based modeling of the representative properties of each phase in a dataset. MSPF is demonstrated for Bi–Cu–V oxide photoanodes for solar fuel generation, which contains 25 different phase combinations and correspondingly exhibits complex composition-structure-photoactivity relationships. Comparing the measured photoactivity to a learned model for non-interacting phases, synergistic phase interactions are identified to guide further photoactivity optimization and understanding. MSPF identifies synergistic interactions of a BiVO 4 -like phase with both Cu 2 V 2 O 7 -like and CuV 2 O 6 -like phases, creating avenues for understanding complex photoelectrocatalysts.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Nearest neighbour distributions: New statistical measures for cosmological clustering

ABSTRACT The use of summary statistics beyond the two-point correlation function to analyse the non-Gaussian clustering on small scales, and thereby, increasing the sensitivity to the underlying cosmological parameters, is an active field of research in cosmology. In this paper, we explore a set of new summary statistics – the k-Nearest Neighbour Cumulative Distribution Functions (kNN-CDF). This is the empirical cumulative distribution function of distances from a set of volume-filling, Poisson distributed random points to the k-nearest data points, and is sensitive to all connected N-point correlations in the data. The kNN-CDF can be used to measure counts in cell, void probability distributions, and higher N-point correlation functions, all using the same formalism exploiting fast searches with spatial tree data structures. We demonstrate how it can be computed efficiently from various data sets – both discrete points, and the generalization for continuous fields. We use data from a large suite of N-body simulations to explore the sensitivity of this new statistic to various cosmological parameters, compared to the two-point correlation function, while using the same range of scales. We demonstrate that the use of kNN-CDF improves the constraints on the cosmological parameters by more than a factor of 2 when applied to the clustering of dark matter in the range of scales between 10 and $40\, h^{-1}\, {\rm Mpc}$. We also show that relative improvement is even greater when applied on the same scales to the clustering of haloes in the simulations at a fixed number density, both in real space, as well as in redshift space. Since the kNN-CDF are sensitive to all higher order connected correlation functions in the data, the gains over traditional two-point analyses are expected to grow as progressively smaller scales are included in the analysis of cosmological data, provided the higher order correlation functions are sensitive to cosmology on the scales of interest.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Validating first-principles molecular dynamics calculations of oxide/water interfaces with x-ray reflectivity data

Metal oxide/water interfaces play a crucial role in many electrochemical and photocatalytic processes, such as photoelectrochemical water splitting, the creation of fuel from sunlight, and electrochemical CO 2 reduction. First-principles electronic structure calculations can reveal unique insights into these processes, such as the role of the alignment of the oxide electronic energy levels with those of liquid water. An essential prerequisite for the success of such calculations is the ability to predict accurate structural models of these interfaces, which in turn requires careful experimental validation. Here we report a general, quantitative validation protocol for first-principles molecular dynamics simulations of oxide/aqueous interfaces. The approach makes direct comparisons of interfacial x-ray reflectivity (XR) signals from experimental measurements and those obtained from ab initio simulations with semilocal and van der Waals functionals. The protocol is demonstrated here for the case of the Al 2 O 3 (001)/water interface, one of the simplest oxide/water interfaces. We discuss the technical requirements needed for validation, including the choice of the density functional, the simulation cell size, and the optimal choice of the thermodynamic ensemble. Our results establish a general paradigm for the validation of structural models and interactions at solid/water interfaces derived from first-principles simulations. Furthermore, while there is qualitative agreement between the simulated structures and the experimental best-fit structure, direct comparisons of simulated and measured XR intensities show quantitative discrepancies that derive from both bulk regions (i.e., alumina and water) as well as the interfacial region, highlighting the need for accurate density functionals to properly describe interfacial interactions. Our results show that XR data are sensitive not only to the atomic structure (i.e., the atom locations) but also to the electron-density distributions in both the substrate and at the interface.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Potential of hotspot solar‐induced chlorophyll fluorescence for better tracking terrestrial photosynthesis

Abstract Remote sensing of solar‐induced fluorescence (SIF) opens a new window for quantifying a key ecological variable, the terrestrial ecosystem gross primary production (GPP), because of the revealed strong SIF–GPP correlation. However, similar to many other remotely sensed metrics, SIF observations suffer from the sun‐sensor geometry effects, which may have important impacts on the SIF–GPP relationship but remain poorly understood. Here we used remotely sensed SIF, globally distributed tower GPP data, and a mechanistic model to provide a systematic analysis. Our results reveal that leaf physiology, canopy structure, and sun‐sensor geometries all affect the SIF–GPP relationship. In particular, we found that SIF observations in the sun‐tracking hotspot direction can be a better proxy of GPP due to the similar responses of light use efficiency and SIF escaping probability in the hotspot direction to the increasing incoming solar radiation. Such conclusions are supported by a variety of modeling simulations and satellite observations over various plant function types, at different time scales and with satellite observational modes. This study demonstrates the potential and advantage of normalizing SIF observations to the hotspot direction for better global GPP estimations. This study also demonstrates the great potentials of current and future spaceborne sun‐tracking satellite missions for a significant improvement in measuring and monitoring, at a wide range of spatial and temporal scales, the changes in terrestrial ecosystem GPP in response to anticipated changes in the Earth's environmental conditions.

Hao, Dalei↗

DOE OSTI2019

Precision Measurement of the Proton Magnetic Form Factor at High Q2

Elastic electromagnetic form factors characterize the distribution of electric charge and magnetization current inside the nucleon and reflect the internal structure determined by Quantum Chromodynamics. Existing data on the proton magnetic form factor at high Q2 (the 4-momentum transfer squared) have large statistical and systematic uncertainties. The GMp experiment E12-07-108 was one of the first set of experiments to run in Hall A at Jefferson Lab after the 12 GeV upgrade with the goal of this experiment to precisely measure the electron-proton elastic cross section for Q2 up to 17 GeV2 with an accuracy of better than 2% - several times better than existing data in this Q2 range. This will allow further tests of form factor scaling predicted by pQCD and, additionally, will be an important benchmark for many other experiments where elastic electron-proton scattering is used for normalization. Since, GMp data were taken at lower ?(virtual photon polarization) than SLAC data, the measured cross sections recieve a smaller contribution from the electric form factor. This dissertation analyzed the GMp experiment data for five different kinematic settings determining the form factor with total uncertainties nearly two times smaller than the existing data at these Q2. This dissertation also presents the results of all Fall 2016 and Spring 2016 GMp experiment data. The proton magnetic form factors were extracted using both the Rosenbluth separation method and a parameterization of the form factor ratio (?pGpE=GpM) obtained from a fit to the existing cross section data. At the end of this thesis, the extracted GMp form factor data is compared to the existing data. The results for ?pGpE=GpM from Rosenbluth separations are found to be consistent with previous extractions, but with significantly reduced uncertainties, further highlighting the discrepancy with the polarization transfer technique. This data set can provide significant additional constraints on contributions from two-photon exchange.

Narayan Gautam, Thir↗

NASA NTRS1973

Capability of ERTS-1 imagery to investigate geological and structural features in a sedimentary basin (Bassin Parisien, France)

A preliminary study of the MSS imagery of a sedimentary basin whose structure is regular is reported. Crops and natural vegetation are distributed all over the site located under temperate climate. Ground data available concern plant species geology and tectonic and are correlated with results from ERTS 1 imagery. This comparison shows a good correlation. The main geological units are detected or enhanced by way of agricultural land use and/or natural vegetation. Alluvial deposits are outlined by vegetation grass land and poplar trees. Some spatial relationship of geostructures, suspected until now, are identified or extended in associating results from different spectral bands.

Cavelier, C.↗

NASA NTRS1985

Influence of meteorological conditions on aerosol vertical distribution and composition off the northeast American coastline

The size distribution and composition of lower tropospheric aerosols were measured off the northeast American coastline under clear air and disturbed meteorological conditions. Under the clear air conditions observed on 5 August 1982, with air flow from west to east, sulfate-rich stratified layers are the dominant feature of aerosol distribution in the lowest 3000 m of the troposphere. The encroachment of a warm frontal system over the study area on 9 August 1982 resulted in dramatic changes in aerosol distribution and composition prior to any precipitation, probably due to increased vertical mixing and dilution of pollutant aerosols. Chloride becomes the dominant water soluble anion in the lower 3000 m, primarily due to a several fold decrease in sulfate. Although these results are limited to only two sets of measurements, the data indicate the variability which can occur in the tropospheric vertical aerosol distributions at remote locations. A knowledge of the structure and stability of these stratified layers is of particular importance to studies of the ocean-troposphere chemistry problem.

Sebacher, D. I.↗

NASA NTRS1992

The constitution of the atmospheric layers and the extreme ultraviolet spectrum of hot hydrogen-rich white dwarfs

An analysis is presented of the atmospheric properties of hot, H-rich, DA white dwarfs that is based on optical, UV, and X-ray observations aimed at predicting detailed spectral properties of these stars in the range 80-800 A. The divergences between observations from a sample of 15 hot DA white dwarfs emitting in the EUV/soft X-ray range and pure H synthetic spectra calculated from a grid of model atmospheres characterized by Teff and g are examined. Seven out of 15 DA stars are found to consistently exhibit pure hydrogen atmospheres, the remaining seven stars showing inconsistency between FUV and EUV/soft X-ray data that can be explained by the presence of trace EUV/soft X-ray absorbers. Synthetic data are computed assuming two other possible chemical structures: photospheric traces of radiatively levitated heavy elements and a stratified hydrogen/helium distribution. Predictions about forthcoming medium-resolution observations of the EUV spectrum of selected hot H-rich white dwarfs are made.

Vennes, Stephane↗

NASA NTRS1993

Coupled ice-ocean variability in the Greenland Sea

A major surface feature of the Greenland Sea during winter is the frequent eastward extension of sea ice south of 75 deg N and an associated embayment to the north. These features are nominally connected with the East Greenland Current, and both the promontory) and the embayment are readily apparent on climatic ice charts. However, there are significant changes in these features on time-scales as short as a few days. Using a combination of satellite microwave images (SSM/I) of ice cover, meteorological data and in situ velocity, temperature and salinity records, we relate the ice distribution and its changes to the developing structure and circulation of the upper ocean during winter 1988-1989. Our measurements illustrate the preconditioning that leads to convective overturn, which in turn brings warmer water to the surface and results in the rapid disappearance of ice. In particular, the surface was cooled to the freezing point by early December and the salinity then increased through ice formation (about 0.016 m/d) and brine rejection. Once the vertical density gradient was sufficiently eroded, a period of high heat flux (greater than 300 W/sq m) in late January provided enough buoyancy loss to convectively mix the upper water column to at least 200 m. We estimate vertical velocities at about 3 cm/s downward during the initial sinking. The deepening of the thermocline raised surface temperatures by over 1 C resulting in nearly 1.5 x 105 km of ice-melt within two days. Average rates of ice retreat are about 2 km/d southwestward, generally consistent with a wind-driven flow. Comparison of hydrographic surveys from before and after the overturning indicate the fresh water was advected out of the area, possibly to the south and east of our moorings.

Roach, A. T.↗