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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Experimental constraints on the sound velocities of cementite Fe 3 C to core pressures

Sound velocities of cementite Fe 3 C have been measured up to 1.5 Mbar and at 300 K in a diamond anvil cell using the nuclear resonant inelastic X-ray scattering (NRIXS) technique. From the partial phonon density of states (pDOS) and equation of state (EOS) of Fe 3 C, we derived its elastic parameters including shear modulus, compressional (V-p) and shear-wave (V-s) velocities to core pressures. A pressure-induced spin-pairing transition in the powdered Fe3C sample was found to occur gradually between 10 and 50 GPa by the X-ray Emission Spectroscopy (XES) measurements. Following the completion of the spin-pairing transition, the V p and V s of low-spin Fe 3 C increased with pressure at a markedly lower rate than its high-spin counterpart. Our results suggest that the incorporation of carbon in solid iron to form iron carbide phases, Fe 3 C and Fe 7 C 3 , could effectively lower the V s but respectively raise the Poisson's ratio by 0.05 and 0.07 to approach the seismically observed values for the Earth's inner core. In conclusion, the comparison with the preliminary reference Earth model (PREM) implies that an inner core composition containing iron and its carbon-rich alloys can satisfactorily explain the observed seismic properties of the inner core.

58 GEOSCIENCES↗
DOE OSTI2021

Improved field evaluation of reference cells using spectral measurements

Output from an IMT reference solar cell mounted on a one-axis tracking surface is investigated using spectral measurements covering the 350–1650 nm range for selected days throughout the year. Comparisons are made to a Class-A pyranometer also mounted on the one-axis tracking surface. Systematic biases over the day and year are observed in the ratio of the reference cell’s measurements to reference pyranometer measurements. This systematic bias is associated with the spectral, temperature, and angle-of-incident effects that differ between the reference cell and the reference pyranometer. The comparison is done for selected clear and totally cloudy days to determine the magnitude of the effects and to characterize the influence of these effects on the reference cell measurements. A model to calculate the reference cell output based on spectral irradiance and reference cell temperature is introduced.

14 SOLAR ENERGY↗
DOE OSTI2019

What Levels of Coupled Cluster Theory Are Appropriate for Transition Metal Systems? A Study Using Near-Exact Quantum Chemical Values for 3d Transition Metal Binary Compounds

Transition metal compounds are traditionally considered to be challenging for standard quantum chemistry approximations like coupled cluster (CC) theory, which are usually employed to validate lower level methods like density functional theory (DFT). To explore this issue, we present a database of bond dissociation energies (BDEs) for 74 spin states of 69 diatomic species containing a 3d transition metal atom and a main group element, in the moderately sized def2-SVP basis. The presented BDEs appear to have an (estimated) 3σ error less than 1 kJ/mol relative to the exact solutions to the nonrelativistic Born-Oppenheimer Hamiltonian. These benchmark values were used to assess the performance of a wide range of standard single reference CC models, as the results should be beneficial for understanding the limitations of these models for transition metal systems. We find that interactions between metals and monovalent ligands like hydride and fluoride are well described by CCSDT. Similarly, CCSDTQ appears to be adequate for bonds between metals and nominally divalent ligands like oxide and sulfide. However, interactions with polyvalent ligands like nitride and carbide are more challenging, with even CCSDTQ(P)Λ yielding errors on the scale of a few kJ/mol. We also find that many perturbative and iterative approximations to higher order terms either yield disappointing results or actually worsen the performance relative to the baseline low level CC method, indicating that complexity does not always guarantee accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Effects of neoclassical tearing modes and toroidal field ripple on lost alpha power in the SPARC tokamak

Here, using the SPIRAL Monte Carlo, full particle-orbit simulation code, we investigate the effects of neoclassical tearing modes (NTMs) and toroidal field (TF) ripple on alpha power losses during steady-state operation of the SPARC primary reference discharge. Model perturbations for TF ripple and the $m/n = 2/1$ and $3/2$ NTMs with exaggerated widths selected based on an H-mode plasma approaching thermal quench are added to a simulated SPARC magnetic equilibrium through which marker particles are tracked. The 3/2 and 2/1 NTMs are located at $\rho_{\mathrm{pol}} \sim 0.76$ and $\rho_\mathrm{pol} \sim 0.86$ respectively, well positioned to increase alpha particle transport into and within an outer lossy region of the plasma beyond $\rho_\mathrm{pol} \sim 0.8$ where over 95% of lost alpha particles are born. Total alpha power losses are shown to increase modestly from 1.73% lost at a minimum to 2.34% lost at a maximum, and alpha particle surface power densities form localized hotspots on the first-wall near the low-field side midplane due to NTMs and TF ripple. We establish a conservative upper limit for first-wall alpha surface power densities on a toroidally symmetric wall for typical, flattop operation and motivate the consideration of NTMs in the design of three dimensional limiter surfaces for SPARC.

alpha power losses↗
DOE OSTI2020

CasCollect: targeted assembly of CRISPR-associated operons from high-throughput sequencing data

Abstract CRISPR arrays and CRISPR-associated (Cas) proteins comprise a widespread adaptive immune system in bacteria and archaea. These systems function as a defense against exogenous parasitic mobile genetic elements that include bacteriophages, plasmids and foreign nucleic acids. With the continuous spread of antibiotic resistance, knowledge of pathogen susceptibility to bacteriophage therapy is becoming more critical. Additionally, gene-editing applications would benefit from the discovery of new cas genes with favorable properties. While next-generation sequencing has produced staggering quantities of data, transitioning from raw sequencing reads to the identification of CRISPR/Cas systems has remained challenging. This is especially true for metagenomic data, which has the highest potential for identifying novel cas genes. We report a comprehensive computational pipeline, CasCollect, for the targeted assembly and annotation of cas genes and CRISPR arrays—even isolated arrays—from raw sequencing reads. Benchmarking our targeted assembly pipeline demonstrates significantly improved timing by almost two orders of magnitude compared with conventional assembly and annotation, while retaining the ability to detect CRISPR arrays and cas genes. CasCollect is a highly versatile pipeline and can be used for targeted assembly of any specialty gene set, reconfigurable for user provided Hidden Markov Models and/or reference nucleotide sequences.

Podlevsky, Joshua D.↗
DOE OSTI2021

Chemical state mapping of simulant Chernobyl lava-like fuel containing material using micro-focused synchrotron X-ray spectroscopy

Uranium speciation and redox behaviour is of critical importance in the nuclear fuel cycle. X-ray absorption near-edge spectroscopy (XANES) is commonly used to probe the oxidation state and speciation of uranium, and other elements, at the macroscopic and microscopic scale, within nuclear materials. Two-dimensional (2D) speciation maps, derived from microfocus X-ray fluorescence and XANES data, provide essential information on the spatial variation and gradients of the oxidation state of redox active elements such as uranium. In the present work, we elaborate and evaluate approaches to the construction of 2D speciation maps, in an effort to maximize sensitivity to the U oxidation state at the U L 3 -edge, applied to a suite of synthetic Chernobyl lava specimens. Our analysis shows that calibration of speciation maps can be improved by determination of the normalized X-ray absorption at excitation energies selected to maximize oxidation state contrast. The maps are calibrated to the normalized absorption of U L 3 XANES spectra of relevant reference compounds, modelled using a combination of arctangent and pseudo-Voigt functions (to represent the photoelectric absorption and multiple-scattering contributions). We validate this approach by microfocus X-ray diffraction and XANES analysis of points of interest, which afford average U oxidation states in excellent agreement with those estimated from the chemical state maps. This simple and easy-to-implement approach is general and transferrable, and will assist in the future analysis of real lava-like fuel-containing materials to understand their environmental degradation, which is a source of radioactive dust production within the Chernobyl shelter.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Approximating Trajectory Constraints With Machine Learning – Microgrid Islanding With Frequency Constraints

Here, we introduce deep earning aided constraint encoding to tackle the frequency-constraint microgrid scheduling problem. The nonlinear function between system operating condition and frequency nadir is approximated by using a neural network, which admits an exact mixed-integer formulation (MIP). This formulation is then integrated with the scheduling problem to encode the frequency constraint. With the stronger representation power of the neural network, the resulting commands can ensure adequate frequency response in a realistic setting in addition to islanding success. The proposed method is validated on a modified 33-node system. Successful islanding with a secure response is simulated under the scheduled commands using a detailed three-phase model in Simulink. The advantages of our model are particularly remarkable when the inertia emulation functions from wind turbine generators are considered.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Active-wake mixing in atmospheric boundary layers with one-turbine arrays

This dataset includes results of high fidelity simulations of a single, offshore wind turbine under a variety of atmospheric conditions. Of primary interest is the turbine performance and wake characteristics when different turbine control strategies are applied, including when wake steering or active wake control are used. The simulations were performed with the LES code AMR-Wind (https://github.com/Exawind/amr-wind/), coupled with OpenFAST (https://github.com/OpenFAST/openfast) and the ROSCO open-source turbine controller (https://github.com/NREL/ROSCO). The turbine used in the simulations is the IEA 15MW reference turbine model.

17 WIND ENERGY↗
DOE OSTI2018

Azura Advanced Controls 1/15th Scale Wave Tank Testing

Experimental data from the wave tank test of the Advanced control systems developed by NWEI for the Azura. Summary data is included utilizing the WEC Lab Testing Content Model v2.1. All raw and processed experimental data files are also included. The test plan and test report are included, along with the test plan and the test report from prior, passively controlled tests of the same model for reference.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Compilation of a Comprehensive Earthquake Catalog and Relocations in the Caucasus Region

Instrumental seismic monitoring has a long history in the Caucasus and started in 1899 when the first seismograph was installed in Tbilisi, Georgia. Much of the analog paper records from this time period are preserved in the Tbilisi archives because Georgia served as the regional data center. In the 1990s, due to the collapse of the Soviet Union and the political turmoil in the region, the analog networks and the communication between the newly formed national networks deteriorated. In Georgia, for the next 13 yr, the seismic network coverage was poor until the 2002 Tbilisi earthquake. Following this earthquake, the first permanent digital seismic station in Georgia was established in Tbilisi in 2003. The digital era progressively improved the ability to collect and archive data and today more than a hundred broadband seismic stations (including temporary arrays) are operating in the southern Caucasus. Until recently, the region lacked a coordinated effort to catalog all analog and digital era data collected by different countries into a single repository. As a result of collaboration between Lawrence Livermore National Laboratory, the Ilia State University, and the Republican Seismic Survey Center of Azerbaijan, a comprehensive earthquake catalog was compiled for the Caucasus and neighboring areas as part of a broader probabilistic seismic hazard assessment project. Here this project digitized Soviet-era paper bulletins, compiled a unified earthquake catalog from regional bulletins, developed 1D reference velocity model, and used it to relocate the events. The final catalog contains 16,963 events with magnitudes 3.7 and above, bringing together all the available data sets in the Caucasus region from 1900 to 2015, significantly improving locations, and generating the most complete earthquake catalog in the region, temporally and geographically.

58 GEOSCIENCES↗
DOE OSTI2022

Communication Requirements for Price-Based Grid Coordination

Meeting ambitious goals for carbon reduction and supporting an electric grid with high levels of renewable energy supply will require significant flexibility from the demand side. This paper outlines a system architecture and communication technology infrastructure to enable dynamic pricing to be used to finely tune coordination between the grid and its customers. Taking a cue from the success of Internet architecture, this system — Price-Based Grid Coordination — emphasizes simplicity and universality. It enables a wide variety of ways for prices and other signals to pass from the grid to individual flexible loads, including multiple possible locations for the intelligence that combines price signals with device functional needs. The paper includes a reference data model to describe how information from the utility level can be conveyed to customer devices, but independent of any particular protocol. The paper also summarizes technology standards development needs, and reviews research needs to address the full spectrum of coordination scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Trinity Benchmarks on the Intel Xeon Phi (Knights Corner)

This report documents the early experiences with porting and performance analysis of the Tri-Lab Trinity benchmark applications on Intel Xeon Phi (Knights Corner) (KNC) processor. KNC, the second generation of the Intel Many Integrated Core (MIC) architectures, uses a large number of small P54C-x86 cores with wide vector units and is deployed as PCI bus attached process accelerators. Sandia has experimental test beds of small InifiniBand clusters and workstations to investigate the performance of the MIC architecture. On these experimental test beds the programming models that may be investigated are "offload", "symmetric" and "native". Among these program usage models our primary interest is in the so called "native" mode, because the planned Trinity system to be deployed in 2016 using the next generation MIC processor architecture called Knights Landing would be self-hosted. Trinity / NERSC-8 benchmark programs cover a variety of scientific disciplines and they were used to guide the procurement of these systems. Architectures such as the Intel MIC are well suited to study evolving processor architectures and a usage model commonly referred to as MPI + X that facilitates migration of our applications to use both coarse grain and fine grain parallelism. Our focus with the applications selected is on the efficacy of algorithms in these applications to take advantage of features like: large number of cores, wide vector units, higher-bandwidth and deeper memory sub-system. This is a first step towards understanding applications, algorithms and programming environments for Trinity and future exascale computing systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Energy Reporting: Device Demonstration, Communication Protocols, and Codes and Standards

Energy reporting is the principle that all energy-using devices in buildings should be able to track their own energy use and report this to the local network. Energy reporting can provide building owners with easy access to highly granular energy use data. This report makes the case that energy reporting should become a free basic feature of all devices, and reports on a project intended to move us towards that goal. The project collected a set of demonstration devices with energy reporting features, including products that were modified by the project team or the manufacturer, or are already available for sale. To show these devices operating live at meetings and conferences, the team created a management system that queries the energy reporting devices for their data, stores the data, and displays it in compelling visualizations. The devices covered a wide range, including heating, ventilation, and air conditioning (thermostat and air purifier); lighting (individual bulb, task light, and auto-dimming overhead light); a vehicle charger; a water heater; electronics (notebook personal computer and universal serial bus charger); and three external meters (one integral with a dimming light switch). The demonstration uses a variety of communication protocols. The report reviews existing communication protocols that support energy reporting and describes how to use them with a proposed reference data model for energy reporting. It also assesses ways that energy codes and standards processes can be leveraged to drive energy reporting technology into the market. Energy reporting could ultimately save California on the order of 2.5 terawatt-hours per year and about $0.8 billion per year. Energy reporting is a highly practical technology with minimal (sometimes no) cost to consumers and manufacturers. This report discusses creation of the energy reporting devices themselves, analysis and recommendations for data models and protocols for energy reporting, and energy codes and standards implications of energy reporting technology. While energy reporting does not directly save energy, it provides information for better decision-making to save energy in changing equipment operation, maintenance, and replacement.

devices↗
DOE OSTI2022

ARM data-oriented metrics and diagnostics package for climate model evaluation (ARM-DIAGS-V3) version 3

A Python-based metrics and diagnostics package is currently being developed by the ARM Infrastructure Team at Lawrence Livermore National Laboratory to facilitate the use of long-term high frequency measurements from the ARM program in evaluating the regional climate simulation of clouds, radiation, precipitation, and aerosols. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The CMIP model data sets are also included in the package to enable model inter-comparison as demonstrated in Zhang et al. (2018) and Zhang et al. (2020). The mean of the CMIP model can be served as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, aerosol optical depth, and radiative fluxes, with plan to extend to more fields, such as the evaluation of model simulated aerosol physicochemical properties and cloud microphysics properties. Process-oriented diagnostics focusing on aerosol, cloud, and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. In addition to the Southern Great Plains (SGP), North Slope of Alaska (NSA) and Tropical Western Pacific (TWP) atmospheric observatories in the ARMDIAGS version 2.0, the version 3.0 package have extended to the data collected at the ARM Eastern North Atlantic (ENA) atmospheric observatory and the Observation and Modeling of the Green Ocean Amazon (GOAMAZON) field campaign. The metrics and diagnostics package are currently built upon standard Python libraries and additional Python packages developed by DOE (CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first provide an overview of major metrics in section 2. The input data, which constitutes the core content of the metrics and diagnostics package, is summarized in section 3. A user's guide documenting the workflow/structure of the version 3.0 codes and including step-by-step instruction for running the package is described in section 4.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Impact of the Earth’s Density Profile on Atmospheric Neutrino Oscillations

As atmospheric neutrinos traverse the Earth, the matter potential influences their oscillation probabilities in intricate ways, enhancing and suppressing the conversion of one neutrino’s flavor to another along the propagation. Comprehending their behavior within Earth’s complex density profile, primarily described by the Preliminary Reference Earth Model (PREM) [1], is essential for accurately describing oscillations and determining expected atmospheric neutrino event rates in the DUNE Far Detector. In this study, we address this challenge by considering an ensemble of Earth models constrained by astronomical measurements of the planet’s mass and moment of inertia. We evaluate how variations in densities and layer boundaries can affect oscillation probabilities and event rates, and what implications this could have on various physics analyses.

Ismerio Oliveira, Marcelo [Rio de Janeiro, Pont. U↗
DOE OSTI2021

Nuclear Data Sensitivity Study for the EBR-II Fast Reactor Benchmark Using SCALE with ENDF/B-VII.1 and ENDF/B-VIII.0

The EBR-II benchmark, which was recently included in the International Handbook of Evaluated Reactor Physics Benchmark Experiments, served as a basis for assessing the performance of the SCALE code system for fast reactor analyses. A reference SCALE model was developed based on the benchmark specifications. Great agreement was observed between the eigenvalue calculated with this SCALE model and the benchmark eigenvalue. To identify potential gaps and uncertainties of nuclear data for the simulation of various quantities of interest in fast spectrum systems, sensitivity and uncertainty analyses were performed for the eigenvalue, reactivity effects, and the radial power profile of EBR-II using the two most recent ENDF/B nuclear data library releases. While the nominal results are consistent between the calculations with the different libraries, the uncertainties due to nuclear data vary significantly. The major driver of observed uncertainties is the uncertainty of the 235 U ( n,γ ) reaction. Since the uncertainty of this reaction is significantly reduced in the ENDF/B-VIII.0 library compared to ENDF/B-VII.1, the obtained output uncertainties tend to be smaller in ENDF/B-VIII.0 calculations, although the decrease is partially compensated by increased uncertainties in 235 U fission and ν ¯ .

42 ENGINEERING↗