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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Typical and extreme weather datasets for studying the resilience of buildings to climate change and heatwaves

We present unprecedented datasets of current and future projected weather files for building simulations in 15 major cities distributed across 10 climate zones worldwide. The datasets include ambient air temperature, relative humidity, atmospheric pressure, direct and diffuse solar irradiance, and wind speed at hourly resolution, which are essential climate elements needed to undertake building simulations. The datasets contain typical and extreme weather years in the EnergyPlus weather file (EPW) format and multiyear projections in comma-separated value (CSV) format for three periods: historical (2001–2020), future mid-term (2041–2060), and future long-term (2081–2100). The datasets were generated from projections of one regional climate model, which were bias-corrected using multiyear observational data for each city. The methodology used makes the datasets among the first to incorporate complex changes in the future climate for the frequency, duration, and magnitude of extreme temperatures. These datasets, created within the IEA EBC Annex 80 “Resilient Cooling for Buildings”, are ready to be used for different types of building adaptation and resilience studies to climate change and heatwaves.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Improving the astrometric solution of the Hyper Suprime-Cam with anisotropic Gaussian processes

Context. We study astrometric residuals from a simultaneous fit of Hyper Suprime-Cam images. Aims. We aim to characterize these residuals and study the extent to which they are dominated by atmospheric contributions for bright sources. Methods. We used Gaussian process interpolation with a correlation function (kernel) measured from the data to smooth and correct the observed astrometric residual field. Results. We find that a Gaussian process interpolation with a von Kármán kernel allows us to reduce the covariances of astrometric residuals for nearby sources by about one order of magnitude, from 30 mas 2 to 3 mas 2 at angular scales of ~1 arcmin. This also allows us to halve the rms residuals. Those reductions using Gaussian process interpolation are similar to recent result published with the Dark Energy Survey dataset. We are then able to detect the small static astrometric residuals due to the Hyper Suprime-Cam sensors effects. We discuss how the Gaussian process interpolation of astrometric residuals impacts galaxy shape measurements, particularly in the context of cosmic shear analyses at the Rubin Observatory Legacy Survey of Space and Time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Study of the thermodynamic properties of CeO{sub 2} from ab initio calculations: The effect of phonon-phonon interaction

The thermodynamic properties of CeO{sub 2} have been reevaluated by a simple but accurate scheme. All our calculations are based on the self-consistent ab initio lattice dynamical (SCAILD) method that goes beyond the quasiharmonic approximation. Through this method, the effects of phonon-phonon interactions are included. The obtained thermodynamic properties and phonon dispersion relations are in good agreement with experimental data when considering the correction of phonon-phonon interaction. We find that the correction of phonon-phonon interaction is equally important and should not be neglected. At last, by comparing with quasiharmonic approximation, the present scheme based on SCAILD method is probably more suitable for high temperature systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Seismic hazard analysis for Jayapura city, Papua

Jayapura city had destructive earthquake which occurred on June 25, 1976 with the maximum intensity VII MMI scale. Probabilistic methods are used to determine the earthquake hazard by considering all possible earthquakes that can occur in this region. Earthquake source models using three types of source models are subduction model; comes from the New Guinea Trench subduction zone (North Papuan Thrust), fault models; derived from fault Yapen, TareraAiduna, Wamena, Memberamo, Waipago, Jayapura, and Jayawijaya, and 7 background models to accommodate unknown earthquakes. Amplification factor using geomorphological approaches are corrected by the measurement data. This data is related to rock type and depth of soft soil. Site class in Jayapura city can be grouped into classes B, C, D and E, with the amplification between 0.5 – 6. Hazard maps are presented with a 10% probability of earthquake occurrence within a period of 500 years for the dominant periods of 0.0, 0.2, and 1.0 seconds.

58 GEOSCIENCES↗
DOE OSTI2016

A noniterative asymmetric triple excitation correction for the density-fitted coupled-cluster singles and doubles method: Preliminary applications

An efficient implementation of the asymmetric triples correction for the coupled-cluster singles and doubles [ΛCCSD(T)] method [S. A. Kucharski and R. J. Bartlett, J. Chem. Phys. 108, 5243 (1998); T. D. Crawford and J. F. Stanton, Int. J. Quantum Chem. 70, 601 (1998)] with the density-fitting [DF-ΛCCSD(T)] approach is presented. The computational time for the DF-ΛCCSD(T) method is compared with that of ΛCCSD(T). Our results demonstrate that the DF-ΛCCSD(T) method provide substantially lower computational costs than ΛCCSD(T). Further application results show that the ΛCCSD(T) and DF-ΛCCSD(T) methods are very beneficial for the study of single bond breaking problems as well as noncovalent interactions and transition states. We conclude that ΛCCSD(T) and DF-ΛCCSD(T) are very promising for the study of challenging chemical systems, where the coupled-cluster singles and doubles with perturbative triples method fails.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

We demonstrate that though exact in principle, the expansion of the total molecular wave function as a sum over adiabatic Born-Oppenheimer (BO) vibronic states makes inclusion of the second-derivative nonadiabatic energy term near conical intersections practically problematic. In order to construct a well-behaved molecular wave function that has density at a conical intersection, the individual BO vibronic states in the summation must be discontinuous. When the second-derivative nonadiabatic terms are added to the Hamiltonian, singularities in the diagonal BO corrections (DBOCs) of the individual BO states arise from these discontinuities. In contrast to the well-known singularities in the first-derivative couplings at conical intersections, these singularities are non-integrable, resulting in undefined DBOC matrix elements. Though these singularities suggest that the exact molecular wave function may not have density at the conical intersection point, there is no physical basis for this constraint. Instead, the singularities are artifacts of the chosen basis of discontinuous functions. We also demonstrate that continuity of the total molecular wave function does not require continuity of the individual adiabatic nuclear wave functions. We classify nonadiabatic molecular dynamics methods according to the constraints placed on wave function continuity and analyze their formal properties. Based on our analysis, it is recommended that the DBOC be neglected when employing mixed quantum-classical methods and certain approximate quantum dynamical methods in the adiabatic representation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Estimates of crystalline LiF thermal conductivity at high temperature and pressure by a Green-Kubo method

Here, given the unique optical properties of LiF, it is often used as an observation window in high-temperature and -pressure experiments; hence, estimates of its transmission properties are necessary to interpret observations. Since direct measurements of the thermal conductivity of LiF at the appropriate conditions are difficult, we resort to molecular simulation methods. Using an empirical potential validated against ab initio phonon density of states, we estimate the thermal conductivity of LiF at high temperatures (1000–4000 K) and pressures (100–400 GPa) with the Green-Kubo method. We also compare these estimates to those derived directly from ab initio data. To ascertain the correct phase of LiF at these extreme conditions, we calculate the (relative) phase stability of the B1 and B2 structures using a quasiharmonic ab initio model of the free energy. We also estimate the thermal conductivity of LiF in an uniaxial loading state that emulates initial stages of compression in high-stress ramp loading experiments and show the degree of anisotropy induced in the conductivity due to deformation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Measurements of jet quenching using semi-inclusive hadron+jet distributions in 𝑝⁢𝑝 and central Pb-Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The ALICE Collaboration reports measurements of the semi-inclusive distribution of charged-particle jets recoiling from a high transverse momentum (high pT) charged hadron, in pp and central Pb-Pb collisions at center-of-mass energy per nucleon–nucleon collision $\sqrt{s_{NN}}$ = 5.02 TeV. The large uncorrelated background in central Pb-Pb collisions is corrected using a data-driven statistical approach which enables precise measurement of recoil jet distributions over a broad range in p T,ch jet and jet resolution parameter R. Recoil jet yields are reported for R = 0.2, 0.4, and 0.5 in the range 7 < p T,ch jet < 140 GeV/c and π/2 < φ < π, where φ is the azimuthal angular separation between hadron trigger and recoil jet. The low-p T,ch jet reach of the measurement explores unique phase space for studying jet quenching, the interaction of jets with the quark–gluon plasma generated in high-energy nuclear collisions. Comparison of p T,ch jet distributions from pp and central Pb-Pb collisions probes medium-induced jet energy loss and intra-jet broadening, while comparison of their acopla narity distributions explores in-medium jet scattering and medium response. The measurements are compared to theoretical calculations incorporating jet quenching.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Correction and calibration of atmospheric impact observations in GOES GLM data

The Earth's atmosphere is impacted daily by both meteoroids and artificial objects. Calibrated observations of the emitted light at sufficiently high sampling rates can enable or improve the estimation of impactor attributes such as size, cohesion, trajectory, and composition, but are difficult to obtain owing to the unpredictability, brevity, and high dynamic (brightness) range of impacts. Ground-based camera systems have successfully monitored small regions of the atmosphere at video frame rates and with limited radiometric capabilities, but most impacts occur over the 70% of the Earth's surface covered by water and are therefore missed by these networks. The Geostationary Lightning Mapper (GLM) instruments aboard Geostationary Operational Environmental Satellites 16 and 17 provide near-hemispherical coverage at 500 frames per second. These data have been shown to contain the signatures of many independently confirmed impacts, often from both viewing angles simultaneously, and constitute an observational resource that is currently unparalleled in the public domain. NASA's Asteroid Threat Assessment Project has implemented an automated impact detection pipeline that processes data from GLM daily. Given a detected impact, the GLM data contain a wealth of information for use in quantitative follow-up analyses. However, impact events differ from lightning in ways that violate key assumptions built into GLM's design. The result is that GLM's onboard processing introduces errors into pixel observations of impact events and the calibrated energies near the periphery of the detector may be substantially overestimated. We present methods for mitigating these and other issues to produce a data product more suitable for impact analyses than the existing GLM lightning product.

58 GEOSCIENCES↗
DOE OSTI2014

Measurement of Fatigue Crack Growth Relationships in Hydrogen Gas for Pressure Swing Adsorber Vessel Steels

We measured the hydrogen-assisted fatigue crack growth rates (da/dN) for SA516 Grade 70 steel as a function of stress-intensity factor range (ΔK) and load-cycle frequency to provide life-prediction data relevant to pressure swing adsorber (PSA) vessels. For ΔK values up to 18.5 MPa m 1/2 , the baseline da/dN versus ΔK relationship measured at 1Hz in 2.8 MPa hydrogen gas represents an upper bound with respect to crack growth rates measured at lower frequency. However, at higher ΔK values, we found that the baseline da/dN data had to be corrected to account for modestly higher crack growth rates at the lower frequencies relevant to PSA vessel operation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Analysis of the dependence of surfatron acceleration of electrons by an electromagnetic wave in space plasma on the particle momentum along the wave front

Based on the numerical solution of the nonlinear nonstationary second-order equation for the wave phase on the particle trajectory, the dynamics of surfatron acceleration of electrons by an electromagnetic wave propagating across the external magnetic field in space plasma is analyzed as a function of the electron momentum along the wave front. Numerical calculations show that, for strongly relativistic initial values of the electron momentum component along the wave front g{sub y}(0) (the other parameters of the problem being the same), electrons are trapped into the regime of ultrarelativistic surfatron acceleration within a certain interval of the initial wave phase Ψ(0) on the particle trajectory. It is assumed in the calculations that vertical bar Ψ(0) vertical bar ≤ π. For strongly relativistic values of g{sub y}(0), electrons are immediately trapped by the wave for 19% of the initial values of the phase Ψ(0) (favorable phases). For the rest of the values of Ψ(0), trapping does not occur even at long times. This circumstance substantially simplifies estimations of the wave damping due to particle acceleration in subsequent calculations. The dynamics of the relativistic factor and the components of the electron velocity and momentum under surfatron acceleration is also analyzed. The obtained results are of interest for the development of modern concepts of possible mechanisms of generation of ultrarelativistic particle fluxes in relatively calm space plasma, as well as for correct interpretation of observational data on the fluxes of such particles and explanation of possible reasons for the deviation of ultrarelativistic particle spectra detected in the heliosphere from the standard power-law scalings and the relation of these variations to space weather and large-scale atmospheric processes similar to tropical cyclones.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Combined Mixed Potential Electrochemical Sensors and Artificial Neural Networks for the Quantificationand Identification of Methane in Natural Gas Emissions Monitoring

Sensors capable of quantifying methane concentration and discriminating between possible sources are needed for natural gas leak detection where multiple spatially overlapping sources including wetlands and agriculture may be present. We report on the fabrication by an additive manufacturing process of a four electrode La 0.87 Sr 0.13 CrO 3 , Indium Tin Oxide (In 2 O 3 90 wt%, SnO 2 10 wt%), Au, Pt mixed potential electrochemical sensor using yttria-stabilized zirconia (YSZ) as a solid electrolyte to natural gas detection. Artificial neural networks (ANNs) are used to automatically decode the possible source and concentration of methane. The ANNs trained on sensor data are capable of correctly discriminating between three sources of methane emissions from simulated mixtures of emissions from cattle, wetlands, or natural gas with >98% accuracy. Quantification error for methane in mixtures of CH 4 in air, CH 4 + NH3 in air, and simulated natural gas is less than 1.5% ppm when a two-temperature dataset is employed.

03 NATURAL GAS↗
DOE OSTI2018

An Evaluation of Bang-Time Measurements from a Multichannel, Triaxial, nTOF Diagnostic for MagLIF Experiments at the Z facility

Neutron bang times for a series of MagLIF (Magnetic Liner Inertial Fusion) experiments with D 2 -filled targets have been measured at the Z facility. The emitted neutrons were detected as current-mode pulses in a multichannel, neutron time-of-flight (nTOF) diagnostic with conventional, scintillator-photomultiplier-tube (PMT) detectors. In these experiments, the detectors were fielded at known, fixed distances L (690-2510 cm) from the target, and on three, non-coplanar (but convergent) lines-of-sight (LOS). The primary goal of this diagnostic was to estimate a fiducial time (bang time) relative to an externally generated time-base for synchronizing all the diagnostics in an experiment. Recorded arrival times (A7) of the pulses were characterized experimentally by three numerical methods: a first-moment estimate (centroid) and two nodal measures — Savitzky-Golay (SG) smoothing and a single point peak estimate of the raw data. These times were corrected for internal detector time delays (transit and impulse-response function) — an adjustment that linked the recorded ATs to the corresponding arrival of uncollided neutrons at each detector. The bang time was then estimated by linearly regressing the arrival times against the associated distances to the source; t bang (on the system timescale) was taken as the temporal intercept of the regression equation at distance L = 0. This article reports the analysis for a representative shot #2584 for which (a) the recorded ATs — even without detector corrections — agreed by method in each channel to within 1-2 ns; (b) internal corrections were each ~3 — 5 ns; and (c) a 95% uncertainty (confidence) interval for t bang in this shot was estimated at ±3 ns with 4 degrees of freedom. A secondary goal for this diagnostic was to check that the bang time measurements corresponded to neutrons emitted by the D(d,n) 3 He reaction in a thermalized DD plasma. According to the theoretical studies by Brysk, such neutrons should be emitted with an isotropic Gaussian distribution of mean kinetic energy $ \overline{E}$ of 2.449 MeV; this energy translates to a mean neutron speed $ \overline{u}$ of 2.160 cm/ns [D. H. Munro, Nuclear Fusion, 56(3) 036001 (2016)]. In the MagLIF series of shots there was no evidence of spatial asymmetry in the time-distance regressions, and it was possible to extract the mean neutron speed from the slope of these fits. In shot 2584 $ \overline{u}$ was estimated at 2.152 cm/ns ± 0.010 cm/ns [95 % confidence, 4 dof] and the mean kinetic energy $ \overline{E}$ (with relativistic corrections) was 2.431 MeV ± 0.022 MeV [95 % confidence, 4 dof] — results supporting the assumption that D-D neutrons were, in fact, measured.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

MCNP calculations concerning the UW 137 Cs release event (Final Report)

This document supersedes earlier reports (LA-UR-19-32358 and LA-UR-20-22216) that discussed MCNP-calculated conversion factors (count rate per unit activity per unit area) for collimated 2”x2” NaI detectors (Ludlum model 44-10 and Thermo model SPA3) in contact with duct and plenum walls. Specifically, for duct and plenum dimensions and construction details of interest to the University of Washington ¹³⁷Cs release event. This document also corrects some of the data presented in the earlier LA-UR reports.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

239 Pu(n,f) Neutron Multiplicity Evaluation with CGMF-Very First Release Candidate [Slides]

239 Pu(n,f) nu-bar evaluated with CGMF from E inc = 0.1-20 MeV. Changes compared to VIII.0: Prior: CGMF model included via Kalman and sensitivities of CGMF model parameters to nu-bar. Evaluation technique: Kalman including correction for PPP. Experimental data: Nearly all data that Phil took into account (I rejected: Huanqiao, Johnstone, Leroy, Nesterov, Smirenkin); New UQ for all experimental data; Marini; No correlations between unc. of different exp., except for Cf-252(sf) nu-bar uncertainty cross-correlating all uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

LLNL International Working Group on Gamma Spectrometry - Preparation of IDB Dataset

The spectral information and associated metadata, including source information, detector setup, and shielding configuration is described in human readable, comma-separated text files (csv). Five csv files are associated with each material type and include the following information (where [Isotope] is U, Pu, and MOX): [Isotope]_measurement_metadata - Metadata of the measurement configuration, including material composition at time of acquisition (decay corrected from certificate date). Data that is unique to a measurement configuration e.g. detector geometry, source-detector distance, analyzer and other electronics used, attenuating materials are provided in this file. [Isotope]_spectrum_metadata - The information that is unique to the spectrum. This includes detector specifications (e.g. date of acquisition, number of channels, gain (keV/channel), energy range, real and live time, full width half-maximum (FWHM) of the 186 or 208 peak for uranium or plutonium measurements, respectively. [Isotope]_source_metadata - The source material used for the measurement, this includes the ratio and uncertainties of isotopes present and processing information of the material. In addition, the certificate information for the source material is listed. [Isotope]_spectrum_counts_metadata - The counts per channel for each spectrum. This data is linked via the UID.spectrum index to the measurement_metadata file. [Isotope]_spectrum_checksum_metadata The MD5 checksum for the original spectrum file. This data is linked via the UID.spectrum index to the measurement_metadata file. This information is provided to prevent duplication of entries in the database.

42 ENGINEERING↗