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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Distributed Computing for the Project 8 Experiment

The Project 8 collaboration aims to measure the absolute neutrino mass or improve on the current limit by measuring the tritium beta decay electron spectrum. We present the current distributed computing model for the Project 8 experiment. Project 8 is in its second phase of data taking with a near continuous data rate of 1Gbps. The current computing model uses DIRAC (Distributed Infrastructure with Remote Agent Control) for its workflow and data management. A detailed meta-data assignment using the DIRAC File Catalog is used to automate raw data transfers and subsequent stages of data processing. The DIRAC system is deployed on containers managed using a Kubernetes cluster to provide a scalable infrastructure. A modified DIRAC Site Director provides the ability to submit jobs using Singularity on opportunistic High-Performance Computing (HPC) sites.

Distributed Computing, Kubernetes, DIRAC, Project ↗
DOE OSTI2022

A treatment-effect model to quantify human dimensions of disaster impacts: the case of Hurricane Maria in Puerto Rico

Here, we propose a supervised learning approach using publicly available panel data to statistically quantify the specific manifestations of human impacts of an extreme event, such as changes number of suicides, substance abuse, excess mortality, and unemployment. This allows us to conceptually focus our framework on human impacts and how by attributing them to disaster events along widely accepted psychological, economic, and social dimensions. Our modified treatment-effect model allows counterfactual baseline conditions to be posited for each manifestation from which an aggregated quantitative multi-faceted measure of human impacts can be determined. The developed statistical methodology could be beneficial to policymakers who must allocate scarce resources to those communities in greater need. We illustrate the applicability of our approach using annual and monthly panel data from 2012 to 2018 encompassing the 2017 Hurricane Maria event across various municipalities in Puerto Rico. Our statistical modeling methodology stands apart since (i) it explicitly and more realistically captures the effect of different human-oriented manifestations of an actual event and (ii) it is flexible enough to accommodate individual preferences of various stakeholders in how they assign importance to multiple manifestations of human impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Pseudorapidity dependence of anisotropic flow and its decorrelations using long-range multiparticle correlations in Pb–Pb and Xe–Xe collisions

The pseudorapidity dependence of elliptic (v 2 ), triangular (v 3 ), and quadrangular (v 4 ) flow coefficients of charged particles measured in Pb–Pb collisions at a centre-of-mass energy per nucleon pair of $\sqrt{S_{NN}}$ = 5.02 TeV and in Xe–Xe collisions at $\sqrt{S_{NN}}$ = 5.44 TeV with ALICE at the LHC are presented. The measurements are performed in the pseudorapidity range − 3.5 < η < 5 for various centrality intervals using two- and multi-particle cumulants with the subevent method. The flow probability density function (p.d.f.) is studied with the ratio of flow coefficient v 2 calculated with four- and two-particle cumulant, and suggests that the variance of flow p.d.f. is independent of pseudorapidity. The decorrelation of the flow vector in the longitudinal direction is probed using two-particle correlations. The results measured with respect to different reference regions in pseudorapidity exhibit differences, argued to be a result of saturating decorrelation effect above a certain pseudorapidity separation, in contrast to previous publications which assign this observation to non-flow effects. The results are compared to 3 + 1 dimensional hydrodynamic and the AMPT transport model calculations. Neither of the models is able to simultaneously describe the pseudorapidity dependence of measurements of anisotropic flow and its fluctuations. The results presented in this work highlight shortcomings in our current understanding of initial conditions and subsequent system expansion in the longitudinal direction. Therefore, they provide input for its improvement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The effect of hydrogen-bonding on flavin’s infrared absorption spectrum

Cluster and continuum solvation computational models are employed to model the effect of hydrogen bonding interactions on the vibrational modes of lumiflavin. Calculated spectra were compared to experimental Fourier-transform infrared (FTIR) spectra in the diagnostic 1450–1800 cm –1 range, where intense V C=C , V C=N , V C 2 =O , and V C 4 =O stretching modes of flavin’s isoalloxazine ring are found. Local mode analysis is used to describe the strength of hydrogen-bonding in cluster models. The computations indicate that V C=C and V C=N mode frequencies are relatively insensitive to intermolecular interactions while the V C 2 =O and V C 4 =O modes are sensitive to direct (and also indirect for V C 2 =O ) hydrogen-bonding interactions. Although flavin is neutral, basis sets without the diffuse functions provide incorrect relative frequencies and intensities. The 6-31+G* basis set is found to be adequate for this system, and there is limited benefit to considering larger basis sets. Calculated vibrational mode frequencies agree with experimentally determined frequencies in solution when cluster models with multiple water molecules are used. Accurate simulation of relative FTIR band intensities, on the other hand, requires a continuum (or possibly quantum mechanical/molecular mechanical) model that accounts for long-range electrostatic effects. Lastly, an experimental peak at ca. 1624 cm –1 that is typically assigned to the V C 2 =O vibrational stretching mode has a complicated shape that suggests multiple underlying contributions. Our calculations show that this band has contributions from both the C 6 –C 7 and C 2 = O stretching vibrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Real-Time Detection of Hydrogen and Ammonia Isotopologues for Impurity Removal and Recovery of Tritium

To accommodate gas measurements for impurity removal and recovery of tritium, a silver-coated optical or waveguide is employed for collecting Raman scattered signals to determine relative hydrogen and ammonia isotopologue populations in real time. The data and results presented here demonstrate an analytical methodology for the analysis of four ammonia and three hydrogen isotopologues in a hydrogen–deuterium exchange reaction by gas phase Raman spectroscopy. Standard chemometric modeling techniques effectively unravel the signatures of the isotopologues involved observed here; however, a sophisticated quantum chemical approach supports the spectral assignments. An interpretation of the data presented here can emphasize the practicality and reliability of the gaseous monitoring system in complex chemical environments for the hydrogen fuel economy as well as the more distant energy source from a facility that handles tritium. There are still considerable concerns about the measurement of tritium in isotope separation and radiological impurities from gas processing. A common impurity in gas processing is ammonia, which can form readily in the presence of nitrogen and tritium. Substituted ammonia (NQ 3 ), where Q = H, D, or T, is traditionally removed through getters or diffusers along with other non-hydrogen contaminants. A preferable analytical approach is noninvasive and can be deployed for real-time process evaluation in radiological environments.

Ammonia↗
DOE OSTI2022

Infrared spectroscopic signature of a hydroperoxyalkyl radical (•QOOH)

Infrared (IR) action spectroscopy is utilized to characterize a prototypical carbon-centered hydroperoxyalkyl radical (•QOOH) transiently formed in the oxidation of volatile organic compounds. The •QOOH radical formed in isobutane oxidation, 2-hydroperoxy-2-methylprop-1-yl, •CH 2 (CH 3 ) 2 COOH, is generated in the laboratory by H-atom abstraction from tert-butyl hydroperoxide (TBHP). IR spectral features of jet-cooled and stabilized •QOOH radicals are observed from 2950 to 7050 cm –1 at energies that lie below and above the transition state barrier leading to OH radical and cyclic ether products. The observed •QOOH features include overtone OH and CH stretch transitions, combination bands involving OH or CH stretch and a lower frequency mode, and fundamental OH and CH stretch transitions. Most features arise from a single vibrational transition with band contours well simulated at a rotational temperature of 10 K. In each case, the OH products resulting from unimolecular decay of vibrationally activated •QOOH are detected by UV laser-induced fluorescence. Assignments of observed •QOOH IR transitions are guided by anharmonic frequencies computed using second order vibrational perturbation theory, a 2 + 1 model that focuses on the coupling of the OH stretch with two low-frequency torsions, as well as recently predicted statistical •QOOH unimolecular decay rates that include heavy-atom tunneling. Most of the observed vibrational transitions of •QOOH are readily distinguished from those of the TBHP precursor. Furthermore, the distinctive IR transitions of •QOOH, including the strong fundamental OH stretch, provide a general means for detection of •QOOH under controlled laboratory and real-world conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

STag. II. Classification of Serendipitous Supernovae Observed by Galaxy Redshift Surveys

With the number of supernovae observed expected to drastically increase thanks to large-scale surveys like the Dark Energy Spectroscopic Instrument (DESI), it is necessary that the tools we use to classify these objects keep up with this increase. We previously created Supernova Tagging and Classification (STag) to address this problem by employing machine learning techniques alongside logistic regression in order to assign “tags” to spectra based on spectral features. STag II is a continuation of this work, which now makes use of model supernova spectra combined with real DESI spectra in order to train STag to better deal with realistic data. Furthermore, we also make use of the rlap score as a trustworthiness cut, making for a more robust and accurate supernova classifier than before.

Astrostatistics techniques↗
DOE OSTI2020

Structure of 30 Mg explored via in-beam γ-ray spectroscopy

In the island of inversion, ground states of neutron-rich sd-shell nuclei exhibit strong admixtures of intruder configurations from the fp shell. The nucleus 30 Mg, located at the boundary of the island of inversion, serves as a cornerstone to track the structural evolution as one approaches this region. Spin-parity assignments for excited states in 30 Mg, especially negative-parity levels, have yet to be established. In the present work, the nuclear structure of 30Mg was investigated by in-beam gamma-ray spectroscopy mainly focusing on firm spin-parity determinations. High-intensity rare-isotope beams of 31 Mg, 32 Mg, 34 Si, and 35 P bombarded a Be target to induce nucleon removal reactions populating states in 30 Mg. Gamma rays were detected by the state-of-the-art gamma-ray tracking array GRETINA. For the direct one-neutron removal reaction, final-state exclusive cross sections and parallel momentum distributions were deduced. Multi-nucleon removal reactions from different projectiles were exploited to gain complementary information. With the aid of the parallel momentum distributions, an updated level scheme with revised spin-parity assignments was constructed. Spectroscopic factors associated with each state were also deduced. Results were confronted with large-scale shell-model calculations using two different effective interactions, showing excellent agreement with the present level scheme. Furthermore, a marked difference in the spectroscopic factors indicates that the full delineation of the transition into the island of inversion remains a challenge for theoretical models.

20 ≤ A ≤ 38↗
DOE OSTI2023

Level scheme study of Mo 91 : Weak-coupling approximation in the N = 50 region

The level scheme of 91 Mo has been studied using the GALILEO γ-ray spectrometer at Laboratori Nazionali di Legnaro, INFN. Five transitions together with four levels are identified for the first time by the γ-γ coincidence measurement, considerably enriching the negative band in 91 Mo. Furthermore, the discrepancy in the previous parity assignments for the states higher than 3807.5 keV has been clarified with the help of new experimental results. A shell-model calculation employing the JUN45 interaction is performed in order to get a further understanding of the level structure of 91 Mo. Being close to N=50 shell closure, the weak-coupling approximation between the valence g 9/2 neutron-hole with the even-even core ( 92 Mo) is discussed in 91Mo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Reconnaissance with JWST of the J-region Asymptotic Giant Branch in Distance Ladder Galaxies: From Irregular Luminosity Functions to Approximation of the Hubble Constant

Abstract We study stars in the J-regions of the asymptotic giant branch (JAGB) of near-infrared color–magnitude diagrams in the maser host NGC 4258 and four hosts of six Type Ia supernovae (SNe Ia): NGC 1448, NGC 1559, NGC 5584, and NGC 5643. These clumps of stars are readily apparent near 1.0 < F150W − F277W < 1.5 andm F150W = 22–25 mag with James Webb Space Telescope NIRCam photometry. Various methods have been proposed to assign an apparent reference magnitude to this recently proposed standard candle, including the mode, median, sigma-clipped mean, or a modeled luminosity function parameter. We test the consistency of these by measuring intrahost variations, finding differences of up to ∼0.2 mag that significantly exceed statistical uncertainties. Brightness differences appear intrinsic, and are further amplified by the nonuniform shape of the JAGB luminosity function, also apparent in the LMC and SMC. We follow a “many methods” approach to measure consistently JAGB magnitudes and distance moduli to the SN Ia host sample calibrated by NGC 4258. We find broad agreement with distance moduli measured from Cepheids, tip of the red giant branch, and Miras. However, the SN host mean distance modulus estimated via the JAGB method necessary to estimateH 0 differs by ∼0.19 mag among the above definitions, the result of different levels of luminosity function asymmetry. The methods yield a full range of 71−78 km s −1 Mpc −1 , i.e., a fiducial result ofH 0 = 74.7 ± 2.1(stat) ± 2.3(sys, ±3.1 if combined in quadrature) km s −1 Mpc −1 , with systematic errors limited by the differences in methods. Future work may seek to standardize and refine this promising tool further, making it more competitive with established distance indicators.

Astronomy & Astrophysics↗
DOE OSTI2021

Towards complete assignment of the infrared spectrum of the protonated water cluster H + (H 2 O) 21

The spectroscopic features of protonated water species in dilute acid solutions have been long sought after for understanding the microscopic behavior of the proton in water with gas-phase water clusters H + (H 2 O) n extensively studied as bottom-up model systems. We present a new protocol for the calculation of the infrared (IR) spectra of complex systems, which combines the fragment-based Coupled Cluster method and anharmonic vibrational quasi-degenerate perturbation theory, and demonstrate its accuracy towards the complete and accurate assignment of the IR spectrum of the H + (H 2 O) 21 cluster. The site-specific IR spectral signatures reveal two distinct structures for the internal and surface four-coordinated water molecules, which are ice-like and liquid-like, respectively. The effect of inter-molecular interaction between water molecules is addressed, and the vibrational resonance is found between the O-H stretching fundamental and the bending overtone of the nearest neighboring water molecule. The revelation of the spectral signature of the excess proton offers deeper insight into the nature of charge accommodation in the extended hydrogen-bonding network underpinning this aqueous cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Demonstrating SolarPILOT's Python API Through Heliostat Optimal Aimpoint Strategy Use Case: Preprint

SolarPILOT is a software package that generates heliostat field layouts and characterizes the optical performance of concentrating solar power (CSP) tower systems. SolarPILOT was developed by the National Renewable Energy Laboratory (NREL) as a stand-alone desktop application but has also been incorporated into NREL's System Advisor Model (SAM) in a simplified format. Prior means for user interaction with SolarPILOT have included the application's graphical interface, the SAM routines with limited configurability, and through a built-in scripting language called "LK." This paper presents a new, full-featured Python-based application programmable interface (API) for SolarPILOT, which we hereafter refer to as CoPylot. CoPylot provides access to all SolarPILOT's capabilities to generate and characterize power tower CSP systems seamlessly through Python. Supported capabilities include (i) creating and destroying a model instances with message reporting tools; (ii) accessing and setting any SolarPILOT variable including custom land boundaries for field layout; (iii) programmatically managing receiver and heliostat objects with varied attributes for systems with multiple receiver or heliostat types; (iv) generating, assigning, and modifying heliostat field layouts including the ability to set individual heliostat locations, aimpoints, soiling rates, and reflectivity levels; (v) simulating heliostat field performance; (vi) returning detailed results describing performance of individual heliostats, the aggregate field, and receiver flux; and, (vii) exporting Python-based model instances to multiple file formats. CoPylot enables Python users to perform detailed tower CSP analysis utilizing either the Hermite expansion technique (analytical) or the SolTrace ray-tracing engine. In addition to CoPylot's functionality, Python users have access to the over 100,000 open-source libraries to develop, analyze, optimize, and visualize CSP tower research.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

Fleet Algorithm Design for Pooled Rideshare: Integrating Human Factors, Simulation, and Optimization

This dissertation explores the study the integration of human factors modeling and rideshare fleet control algorithms. Pooled rideshare is a unique transportation mode offering that allows riders increased flexibility and accessibility over public transportation, and decreased cost relative to personal vehicles or traditional rideshare. Additionally, relative to personal vehicles, pooled rideshare offers reduced costs and options for those with difficulty obtaining transportation. Prior research in the space typically focused on modeling human behavior, or optimizing system performance, but a lack of integration of the concepts leads to unrealistic or underutilized outcomes. To tackle this problem, novel rideshare assignment, and repositioning strategies were designed and implemented in a simulation environment. Through a series of successive studies, improvements to current rideshare processes were identified, and beneficial outcomes for profitability, accessibility, and traffic were explored. Further, improved metrics to assess rideshare performance were designed and analyzed in the context of improved rideshare offerings. This research contributes to the field of transportation by tackling novel but pragmatic approaches to challenges facing the rideshare industry. Through the course of this dissertation, rideshares impacts on users, operators, and even regulators will be explored in detail. The justification behind the use of a simulation environment, a set of simulated regional models for testing, and the focus on realism and deployability is illustrated. The research identifies holes in potential markets for the use of both private, and public rideshare systems.

Paul, Joseph↗
DOE OSTI2021

Demonstrating SolarPILOT’s Python API Through Heliostat Optimal Aimpoint Strategy Use Case

SolarPILOT is a software package that generates solar field layouts and characterizes the optical performance of concentrating solar power (CSP) tower systems. SolarPILOT was developed by the National Renewable Energy Laboratory (NREL) as a stand-alone desktop application but has also been incorporated into NREL’s1 System Advisor Model (SAM) in a simplified format. Prior means for user interaction with SolarPILOT have included the application’s graphical interface, the SAM routines with limited configurability, and through a built-in scripting language called “LK.” This paper presents a new, full-featured, Python-based application programmable interface (API) for SolarPILOT, which we hereafter refer to as CoPylot. CoPylot provides access to all SolarPILOT’s capabilities to generate and characterize power tower CSP systems seamlessly through Python. Supported capabilities include (i) creating and destroying a model instance with message reporting tools; (ii) accessing and setting any SolarPILOT variable including custom land boundaries for field layouts; (iii) programmatically managing receiver and heliostat objects with varied attributes for systems with multiple receiver or heliostat types; (iv) generating, assigning, and modifying solar field layouts including the ability to set individual heliostat locations, aimpoints, soiling rates, and reflectivity levels; (v) simulating solar field performance; (vi) returning detailed results describing performance of individual heliostats, the aggregate field, and receiver flux distribution; and, (vii) exporting Python-based model instances to multiple file formats. CoPylot enables Python users to perform detailed CSP tower analysis utilizing either the Hermite expansion technique (analytical) or the SolTrace ray-tracing engine. In addition to CoPylot’s functionality, Python users have access to the over 100,000 open-source libraries to develop, analyze, optimize, and visualize power tower CSP research. This enables CSP researchers to perform analysis that was previously not possible through SolarPILOT’s existing interfaces. This paper discusses the capabilities of CoPylot and presents a use case wherein we demonstrate optimal solar field aiming strategies.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

The modeling of risk perception in the use of structural health monitoring information for optimal maintenance decisions

This paper proposes an approach to select a maintenance strategy from a predefined set of choices considering the decision maker’s behavioral risk profile. It is assumed that the damage state is characterized by a continuous state parameter probabilistically inferred from observable sensor data. This work applies an engineering application of consequence-based decision-making incorporating the acceptable risk intensity of the decision-maker, i.e., the decision-maker’s (individual or an organization) valuation of the outcome of a decision, using a risk profile model. The utility of a decision-maker is subjective, and this paper considers the fact that different decision-makers mentally assign a different importance factor (the utility) to the seriousness or urgency to take necessary actions with the increasing intensity of structural damage. The approach herein incorporates a layer of human psychology on selecting appropriate maintenance strategies that not only depend on the posterior distribution of unmeasurable damage state but also consider the behavioral risk profile of the decision-maker. Further, the collective decision-making of an organization consisting of many individuals is also investigated. The approach is exemplified in a case study involving life cycle monitoring of a miter gate, part of a lock system enabling navigation of inland waterways.

42 ENGINEERING↗
DOE OSTI2026

EV Shuttle Bus Pilot

The EV Shuttle Bus Pilot dataset contains data and analysis from Hocking-Athens-Perry Community Action's demonstration of an electric bus on routes of their rural Athens Public Transit system. The vehicle used in the demonstration was a Ford E-450 cutaway equipped with an electric drivetrain, a 127-kWh battery system by Motiv Power Systems, and a cabin upfit by Turtle Top. Data gathered include route assignments, running time and distance, fuel economy, and charge cycles. A comparison of the vehicle's observed duty cycle with duty cycle modeling from other rural transit fleets in the National Transit Database is included to help better understand the rural adoption potential for this fleet technology.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Delineation of endorheic drainage basins in the MERIT-Plus dataset for 5 and 15 minute upscaled river networks

Abstract The MERIT-Hydro networks re-gridded by the Iterative Hydrography Upscaling (IHU) algorithm do not retain exo- or endorheic basin attributes from the original data. Here we developed methods to assign such attributes to those and any other digital river networks. The motivation is that endorheic inland drainage basins are essential for hydrologic modelling of global and regional water balances, land surface water storage, gravity anomalies, sea level rise, etc. First, we create basin attributes that explicitly label endorheic and exorheic catchments by the criteria of direct or hidden connectivity to the ocean without changing their flow direction grid. In the second step we alter the delineation of endorheic basins by the merging algorithm that eliminates small inland watersheds to the adjacent host basins. The resulting datasets have a significantly reduced number of endorheic basins while preserving the total land portion and topology of the inland basins. The data was validated using the Water Balance Model by comparing volume of endorheic inland depressions with modelled water accumulation in their inland lakes.

58 GEOSCIENCES↗