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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Failure time analysis with unobserved heterogeneity: Earthquake duration time of Turkey

Failure time models assume that all units are subject to same risks embodied in the hazard functions. In this paper, unobserved sources of heterogeneity that are not captured by covariates are included into the failure time models. Destructive earthquakes in Turkey since 1900 are used to illustrate the models and inter-event time between two consecutive earthquakes are defined as the failure time. The paper demonstrates how seismicity and tectonics/physics parameters that can potentially influence the spatio-temporal variability of earthquakes and presents several advantages compared to more traditional approaches.

58 GEOSCIENCES↗
DOE OSTI2016

Time-dependent analysis of visible helium line-ratios for electron temperature and density diagnostic using synthetic simulations on NSTX-U

Helium line-ratios for electron temperature (T{sub e}) and density (n{sub e}) plasma diagnostic in the Scrape-Off-Layer (SOL) and edge regions of tokamaks are widely used. Due to their intensities and proximity of wavelengths, the singlet, 667.8 and 728.1 nm, and triplet, 706.5 nm, visible lines have been typically preferred. Time-dependency of the triplet line (706.5 nm) has been previously analyzed in detail by including transient effects on line-ratios during gas-puff diagnostic applications. In this work, several line-ratio combinations within each of the two spin systems are analyzed with the purpose of eliminating transient effects to extend the application of this powerful diagnostic to high temporal resolution characterization of plasmas. The analysis is done using synthetic emission modeling and diagnostic for low electron density NSTX SOL plasma conditions by several visible lines. Quasi-static equilibrium and time-dependent models are employed to evaluate transient effects of the atomic population levels that may affect the derived electron temperatures and densities as the helium gas-puff penetrates the plasma. The analysis of a wider range of spectral lines will help to extend this powerful diagnostic to experiments where the wavelength range of the measured spectra may be constrained either by limitations of the spectrometer or by other conflicting lines from different ions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Time-resolved analysis of Fermi gamma-ray bursts with fast- and slow-cooled synchrotron photon models

Time-resolved spectroscopy is performed on eight bright, long gamma-ray bursts (GRBs) dominated by single emission pulses that were observed with the Fermi Gamma-Ray Space Telescope. Fitting the prompt radiation of GRBs by empirical spectral forms such as the Band function leads to ambiguous conclusions about the physical model for the prompt radiation. Moreover, the Band function is often inadequate to fit the data. The GRB spectrum is therefore modeled with two emission components consisting of optically thin non-thermal synchrotron radiation from relativistic electrons and, when significant, thermal emission from a jet photosphere, which is represented by a blackbody spectrum. To produce an acceptable fit, the addition of a blackbody component is required in five out of the eight cases. We also find that the low-energy spectral index α is consistent with a synchrotron component with α = –0.81 ± 0.1. This value lies between the limiting values of α = –2/3 and α = –3/2 for electrons in the slow- and fast-cooling regimes, respectively, suggesting ongoing acceleration at the emission site. The blackbody component can be more significant when using a physical synchrotron model instead of the Band function, illustrating that the Band function does not serve as a good proxy for a non-thermal synchrotron emission component. The temperature and characteristic emission-region size of the blackbody component are found to, respectively, decrease and increase as power laws with time during the prompt phase. In addition, we find that the blackbody and non-thermal components have separate temporal behaviors as far as their respective flux and spectral evolutions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Real-Time Greedy-Index Dispatching Policy for using PEVs to Provide Frequency Regulation Service

This article presents a real-time greedy-index dispatching policy (GIDP) for using plug-in electric vehicles (PEVs) to provide frequency regulation services. A new service cost allocation mechanism is proposed to award PEVs based on the amount of service they provided, while considering compensations for delayed-charging and reduction of battery lifetime due to participation of the service. The GIDP transforms the optimal dispatch problem from a high-dimensional space into a one-dimensional space while preserving the solution optimality. When solving the transformed problem in real-time, the global optimality of the GIDP solution can be guaranteed by mathematically proved “indexability”. Because the GIDP index can be calculated upon the PEV’s arrival and used for the entire decision making process till its departure, the computational burden is minimized and the complexity of the aggregator dispatch process is significantly reduced. Finally, simulation results are used to evaluate the proposed GIDP, and to demonstrate the potential profitability from providing frequency regulation service by using PEVs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

An 8.8 ps RMS Resolution Time-To-Digital Converter Implemented in a 60 nm FPGA with Real-Time Temperature Correction

This paper presented a non-uniform multiphase (NUMP) time-to-digital converter (TDC) implemented in a field-programmable gate array (FPGA) with real-time automatic temperature compensation. NUMP-TDC is a novel, low-cost, high-performance TDC that has achieved an excellent performance in Altera Cyclone V FPGA. The root mean square (RMS) for the intrinsic timing resolution was 2.3 ps. However, the propagation delays in the delay chain of some FPGAs (for example, the Altera Cyclone 10 LP) vary significantly as the temperature changes. Thus, the timing performances of NUMP-TDCs implemented in those FPGAs are significantly impacted by temperature fluctuations. In this study, a simple method was developed to monitor variations in propagation delays using two registers deployed at both ends of the delay chain and compensate for changes in propagation delay using a look-up table (LUT). When the variations exceeded a certain threshold, the LUT for the delay correction was updated, and a bin-by-bin correction was launched. Using this correction approach, a resolution of 8.8 ps RMS over a wide temperature range (5 °C to 80 °C) had been achieved in a NUMP-TDC implemented in a Cyclone 10 LP FPGA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Overlapping localized exponential time differencing methods for diffusion problems

The localized exponential time differencing (ETD) based on overlapping domain decomposition has been recently introduced for extreme-scale phase field simulations of coarsening dynamics, which displays excellent parallel scalability in supercomputers. This paper serves as the first step toward building a solid mathematical foundation for this approach. We study the overlapping localized ETD schemes for a model time-dependent diffusion equation discretized in space by the standard central difference. Two methods are proposed and analyzed for solving the fully discrete localized ETD systems: the first one is based on Schwarz iteration applied at each time step and involves solving stationary problems in the subdomains at each iteration, while the second one is based on the Schwarz waveform relaxation algorithm in which time-dependent subdomain problems are solved at each iteration. The convergences of the associated iterative solutions to the corresponding fully discrete localized ETD solution and to the exact semidiscrete solution are rigorously proved. Finally, numerical experiments are also carried out to confirm theoretical results and to compare the performance of the two methods.

58 GEOSCIENCES↗
DOE OSTI2024

Laser pulse induced second- and third-harmonic generation of gold nanorods with real-time time-dependent density functional tight binding (RT-TDDFTB) method

In this paper, we investigate second- and third-harmonic generation processes in Au nanorod systems using the real-time time-dependent density functional tight binding method. Our study focuses on the computation of nonlinear signals based on the time dependent dipole response induced by linearly polarized laser pulses interacting with nanoparticles. We systematically explore the influence of various laser parameters, including pump intensity, duration, frequency, and polarization directions, on harmonic generation. We demonstrate all the results using Au nanorod dimer systems arranged in end-to-end configurations, and disrupting the spatial symmetry of regular single nanorod systems is crucial for second-harmonic generation processes. Furthermore, we study the impact of nanorod lengths, which lead to variable plasmon energies, on harmonic generation, and estimates of polarizabilities and hyper-polarizabilities are provided.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Timing is everything: diel metabolic and physiological changes in the diatom Cyclotella cryptica grown in simulated outdoor conditions

Microalgal cultures grown on a light-dark cycle experience diel patterns in metabolic and physiological processes, including cell cycle synchronization, but the implications for productivity in terms of biomass and commerciallyappealing molecules are not commonly appreciated. Despite a long history of diel response studies, only recently have photobioreactor technology advances enabled the use of sinusoidal light and temperature to more accurately mimic outdoor conditions. The present study investigates cell cycle progression and dynamic changes in biomass, triacylglycerol (TAG), and photosynthetic pigments on a 24-hour scale in the diatom Cyclotella cryptica grown using a sinusoidal light and temperature regime. Cell division synchronized to occur predominantly in the middle of the light period and biomass started to increase several hours earlier, as the cells prepared to divide. TAG levels increased during the day and decreased at night, with a mid-day dip corresponding to the time when lipid needs for cell divisionassociated membrane biosynthesis would be high. For the first time, photosynthetic pigment dynamics data, obtained with higher temporal resolution than previously reported for microalgae, was overlaid with cell cycle progression, indicating that while some photosynthetic pigments respond primarily to light, others are influenced by the cell cycle. Another novel observation was that the abundance of most photosynthetic pigments also fluctuated substantially on a rapid time scale during dawn, dusk, and the beginning of the dark period. Additionally, the results indicate that in a synchronized culture, potential product yields change substantially throughout the day. This may inform harvest timing to significantly increase yield.

microalgae, biofuels, Cell Lipids↗
DOE OSTI2019

High-pressure shock tube study of ethanol oxidation: Ignition delay time and CO time-history measurements

Ethanol oxidation was studied by measuring CO time-histories and ignition delay times behind reflected shockwaves at elevated pressures. In this study, experimental conditions included a temperature range of 960–1580 K, pressure range of 17.8–23.9 atm, and initial fuel concentrations of 6.54% and 0.25% with nitrogen and argon used as bath gasses, respectively. The equivalence ratio for high fuel loading was kept constant at 1.0, and for low fuel loading equivalence ratios were 1.0 and 0.5. For high fuel loading, early heat/energy release was observed in nearly all ignition delay time measurements, indicative of preignition; however, data collected are in good agreement with model predictions. These events are interpreted as a transition from mild to strong ignition. For the low fuel loading cases (Φ = 1.0 and 0.5), no early heat/energy release was observed. Comparisons of measured CO concentration profiles with the predictions from kinetic mechanisms of Metcalfe et al. (2013), Mittal et al. (2014), and Zhang et al. (2018) were made assuming constant internal energy and volume for the test gas. Such comparisons in addition with performed sensitivity and pathway analyses for CO formation revealed lower temperature sensitivity to the bimolecular reaction of methyl and hydroperoxyl radicals given by CH 3 + HO 2 CH 3 O + OH, and H-atom abstraction by the hydroperoxyl radical at the alpha site on ethanol given by elementary reaction C 2 H 5 OH + HO 2 =sC 2 H 4 OH + H 2 O 2 . Furthermore, the current study provides important validation targets for ethanol chemical kinetic mechanisms and highlights the benefits of time-history measurements at various temperatures and pressures in a shock tube, which are scare in the literature.

09 BIOMASS FUELS↗
DOE OSTI2019

Time sequence gamma-spectrometry of irradiated salt

Persisted Memory Mapping File (MMF) techniques have developed for the processing and analysis of time-stamped list (TLIST) mode data collected from an irradiated salt sample. This is a new technique that is unique to this research and enables additional information to be obtained from a conventional pulse height analysis (PHA) gamma-spectrometry acquisition. A salt sample was irradiated using a DT neutron generator and immediately measured using TLIST acquisition for 1 month to generate a 22 GB data file. MMF techniques were used to process the file without size restrictions at a rate of 388.5 MB minute-1, with instant access to any position within the file, separating the file into a series of time sequenced spectra suitable for PHA analysis. This enabled 14 activation products to be identified at different time intervals (41Ar, 80Br, 80mBr, 47Ca, 34mCl, 38Cl, 42K, 43K, 56Mn, 22Na, 24Na, 85Sr, 87mSr and 69mZn), and 6 radionuclides (80Br, 47Ca, 34mCl, 56Mn, 24Na and 87mSr) to be definitively confirmed based upon their measured half-life. Using this technique, the detection of 47Ca, and in-growth of its 47Sc progeny, was demonstrated as useful for calculating the time since irradiation.

Burnett, Jonathan L.↗
DOE OSTI2025

Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

Here, we present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift. The scalability and efficiency of RMG on massively parallel architectures allow for simulations of complex systems, such as plasmonic nanoparticles with thousands of atoms. Future extensions, including nuclear and spin dynamics, will broaden the applicability of this RT-TDDFT implementation, providing a powerful toolset for studies of photoactive materials, nanoscale devices, and other systems where real-time electronic dynamics is essential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Time-Dependent Complete Active Space Embedded in Polarizable Force Field

Electron correlation and environmental effects play important roles in electron dynamics and spectroscopic observables of chemical systems in condensed phase. In this paper, we present a time-dependent complete active space configuration interaction (TD-CASCI) approach embedded in a polaraizable force filed, MMPol. The present implementation of TD-CASCI/MMPol utilizes a direct matrix-vector contraction, allowing studies of large systems. This scheme is used to study the solvatochromic shift of coumarin 153 in methanol. The TD-CASCI/MMPol approach captures the double excitation character in the excited state wave function and accurately predicts the solvatochromic red-shift of coumarin 153 dye within the experimental range, outperforming linear response time-dependent density functional theory. The effect of using different reference orbitals for the TD-CASCI/MMPol simulation is also investigated, highlighting the need for an unbiased treatment of all electronic states in the energy range of interest.

Liu, Hongbin↗
DOE OSTI2016

In Situ Real-Time Radiographic Study of Thin Film Formation Inside Rotating Hollow Spheres

Hollow spheres with uniform coatings on the inner surface have applications in optical devices, time- or site controlled drug release, heat storage devices, and target fabrication for inertial confinement fusion experiments. The fabrication of uniform coatings, which is often critical for the application performance, requires precise understanding and control over the coating process and its parameters. Here, we report on in-situ real-time radiography experiments that provide critical spatio-temporal information about the distribution of fluids inside hollow spheres during uniaxial rotation. Image analysis and computer fluid dynamics simulations were used to explore the effect of liquid viscosity and rotational velocity on the film uniformity. The data were then used to demonstrate the fabrication of uniform sol-gel chemistry derived porous polymer films inside 2mm inner diameter diamond shells.

aerogel↗
DOE OSTI2014

Microscopic Theory of the Long-Time Diffusivity and Intermediate-Time Anomalous Transport of a Nanoparticle in Polymer Melts

The transport of a single nanoparticle in unentangled and entangled polymer melts is studied based on a microscopic, force-level, self-consistent generalized Langevin equation approach. Nanoparticle self-motion and length-scale-dependent polymer relaxation enter as two parallel and competing channels of force relaxation. For entangled melts, particle long-time mobility exhibits size-dependent non-Stokes–Einstein behaviors controlled by (i) fast diffusion and length-scale-dependent collective relaxation of the unentangled matrix for particles smaller than the tube diameter and (ii) polymer relaxation via reptation for nanoparticles larger than the tube diameter. The two regimes are connected by a relatively sharp but continuous crossover. Recovery of hydrodynamic behavior requires the nanoparticle to be roughly 10 times larger than the tube diameter. Theoretical predictions for the diffusion constant are in good agreement with recent simulations of unentangled and lightly entangled melts, including the crossover regime where the nanoparticle and tube diameters are roughly equal. The calculations are also in reasonable accord with several experiments in entangled synthetic polymer melts and DNA solutions, although the activated hopping motion not included in the present theory may be important in a narrow intermediate crossover regime for sufficiently entangled polymers. The predictions of the theory for intermediate-time anomalous diffusion are of mixed quality based on comparison to simulations. Furthermore, the significant limitations identified are associated with our minimalist treatment of collective density fluctuation relaxation on intermediate time and length scales, including the possible importance of non-reptation relaxation processes in entangled melts.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution

Atomic motion at grain boundaries is essential to microstructure development, growth and stability of catalysts and other nanostructured materials. However, boundary atomic motion is often too fast to observe in a conventional transmission electron microscope (TEM) and too slow for ultrafast electron microscopy. Here, we report on the entire transformation process of strained Pt icosahedral nanoparticles (ICNPs) into larger FCC crystals, captured at 2.5 ms time resolution using a fast electron camera. Results show slow diffusive dislocation motion at nm/s inside ICNPs and fast surface transformation at μm/s. By characterizing nanoparticle strain, we show that the fast transformation is driven by inhomogeneous surface stress. And interaction with pre-existing defects led to the slowdown of the transformation front inside the nanoparticles. Particle coalescence, assisted by oxygen-induced surface migration at T ≥ 300°C, also played a critical role. Furthermore by studying transformation in the Pt ICNPs at high time and spatial resolution, we obtain critical insights into the transformation mechanisms in strained Pt nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2018

COSMOGRAIL: the COSmological MOnitoring of GRAvItational Lenses: XVI. Time delays for the quadruply imaged quasar DES J0408–5354 with high-cadence photometric monitoring* [COSMOGRAIL XVI: Time delays for the quadruply imaged quasar DES J0408–5354 with high-cadence photometric monitoring]

Here, we present time-delay measurements for the new quadruple imaged quasar DES J0408–5354, the first quadruple imaged quasar found in the Dark Energy Survey (DES). Our result is made possible by implementing a new observational strategy using almost daily observations with the MPIA 2.2 m telescope at La Silla observatory and deep exposures reaching a signal-to-noise ratio of about 1000 per quasar image. This data qualityallows us to catch small photometric variations (a few mmag rms) of the quasar, acting on temporal scales much shorter than microlensing, and hence making the time delay measurement very robust against microlensing. In only seven months we very accurately measured one of the time delays in DES J0408–5354: Δt(AB) = –112.1 ± 2.1 days (1.8%) using only the MPIA 2.2 m data. In combination with data taken with the 1.2 m Euler Swiss telescope, we also measured two delays involving the D component of the system Δt(AD) = –155.5 ± 12.8 days (8.2%) and Δt(BD) = –42.4 ± 17.6 days (41%), where all the error bars include systematics. Turning these time delays into cosmological constraints will require deep Hubble Space Telescope (HST) imaging or ground-based adaptive optics (AO), and information on the velocity field of the lensing galaxy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗