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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Unravelling the dynamical origin of below- and near-threshold harmonic generation of H 2 + in an intense NIR laser field

Recently, the study of near- and below- threshold regime harmonics as a potential source of intense coherent vacuum-ultraviolet radiation has received considerable attention. However, the dynamical origin of these lower harmonics, particularly for the molecular systems, is less understood and largely unexplored. Here we perform the first fully ab initio and high precision 3D quantum study of the below- and near-threshold harmonic generation of H 2 + molecules in an intense 800-nm near-infrared (NIR) laser field. Furthermore, combining with a synchrosqueezing transform of the quantum time-frequency spectrum and an extended semiclassical analysis, we explore in-depth the roles of various quantum trajectories, including short- and long trajectories, multiphoton trajectories, resonance-enhanced trajectories, and multiple rescattering trajectories of the below- and near- threshold harmonic generation processes. Our results shed new light on the dynamical origin of the below- and near-threshold harmonic generation and various quantum trajectories for diatomic molecules for the first time.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

The Effect of the Madden‐Julian Oscillation on the Mesospheric Migrating Diurnal Tide: A Study Using SD‐WACCM

Abstract The response of the mesospheric migrating diurnal (DW1) tide to the Madden‐Julian oscillation (MJO) is investigated for the first time using a simulation from the Specified‐Dynamic Whole Atmosphere Community Climate Model (SD‐WACCM), which is driven by reanalysis data. Analysis shows that a significant connection exists between the MJO and the mesospheric DW1 tidal amplitude. During MJO phases 2 and 3, the convection anomalies are associated with enhancement in both the solar insolation absorption and latent heat release in the equatorial troposphere; these in turn lead to stronger DW1 forcing. Conversely, the forcing of DW1 by solar and latent heating in the troposphere is weaker during MJO phase 8. The difference of the tidal amplitude during the opposite MJO phases from the boreal winter mean state is ~15–20%. The parameterized gravity wave variations are found to have a significant impact on the DW1 tidal response in some phases of the MJO.

Yang, Chengyun↗
DOE OSTI2020

Ultrafast molecular frame electronic coherences from lab frame scattering anisotropies

Electronic coherences in molecules are ultrafast charge oscillations on the molecular frame (MF) and their direct observation and separation from electronic population dynamics is challenging. Here we present a valence shell lab frame (LF) scattering method suited to probing electronic coherences in isolated systems. MF electronic coherences lead to LF electronic anisotropies observable by ultrafast angle-resolved scattering. Moment analysis of the LF anisotropy completely separates electronic coherences from population dynamics, demonstrated in excited state NH 3 using ultrafast time-energy-angle-resolved photoelectron spectroscopy. Overall, this general approach applies equally to attosecond/femtosecond electronic coherences in isolated systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

EVIDENCE OF THERMAL CONDUCTION SUPPRESSION IN A SOLAR FLARING LOOP BY CORONAL SEISMOLOGY OF SLOW-MODE WAVES

Analysis of a longitudinal wave event observed by the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory is presented. A time sequence of 131 Å images reveals that a C-class flare occurred at one footpoint of a large loop and triggered an intensity disturbance (enhancement) propagating along it. The spatial features and temporal evolution suggest that a fundamental standing slow-mode wave could be set up quickly after meeting of two initial disturbances from the opposite footpoints. The oscillations have a period of ∼12 minutes and a decay time of ∼9 minutes. The measured phase speed of 500 ± 50 km s{sup −1} matches the sound speed in the heated loop of ∼10 MK, confirming that the observed waves are of slow mode. We derive the time-dependent temperature and electron density wave signals from six AIA extreme-ultraviolet channels, and find that they are nearly in phase. The measured polytropic index from the temperature and density perturbations is 1.64 ± 0.08 close to the adiabatic index of 5/3 for an ideal monatomic gas. The interpretation based on a 1D linear MHD model suggests that the thermal conductivity is suppressed by at least a factor of 3 in the hot flare loop at 9 MK and above. The viscosity coefficient is determined by coronal seismology from the observed wave when only considering the compressive viscosity dissipation. We find that to interpret the rapid wave damping, the classical compressive viscosity coefficient needs to be enhanced by a factor of 15 as the upper limit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Theory of x-ray photon correlation spectroscopy for multiscale flows

Complex multiscale flows associated with instabilities and turbulence are commonly induced under high-energy density (HED) conditions, but accurate measurement of their transport properties has been challenging. X-ray photon correlation spectroscopy (XPCS) with coherent x-ray sources can, in principle, probe material dynamics to infer transport properties using time autocorrelation of density fluctuations. Here we develop a theoretical framework for utilizing XPCS to study material diffusivity in multiscale flows. We extend single-scale shear flow theories to broadband flows using a multiscale analysis that captures shear and diffusion dynamics. Our theory is validated with simulated XPCS for Brownian particles advected in multiscale flows. We demonstrate the versatility of the method over several orders of magnitude in timescale using sequential-pulse XPCS, single-pulse x-ray speckle visibility spectroscopy (XSVS), and double-pulse XSVS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

On Computation of Koopman Operator from Sparse Data

In this paper, we propose a novel approach to compute the Koopman operator from sparse time series data. In recent years there has a considerable interest in operator theoretic methods for data-driven analysis of dynamical systems and existing techniques for the approximation of the Koopman operator require rich enough data-sets. However, in many applications, the data set may not be rich enough to approximate the operators to acceptable limits. In this paper, using ideas from robust optimization, we propose an algorithm to compute the Koopman operator from sparse data. In particular, we enrich the sparse data set with artificial data points and use robust optimization techniques to obtain the transfer operator. We illustrate the efficiency of our proposed approach in three different dynamical systems, namely, a linear system, a nonlinear system and a dynamical system governed by a partial differential equation.

Sinha, Subhrajit↗
DOE OSTI2016

Ab Initio Multiple Spawning Photochemical Dynamics of DMABN Using GPUs

The ultrafast decay dynamics of 4-( N,N -dimethylamino)benzonitrile (DMABN) following photoexcitation was studied with the ab initio multiple spawning (AIMS) method, combined with GPU-accelerated linear-response time-dependent density functional theory (LR-TDDFT). We validate the LR-TDDFT method for this case and then present a detailed analysis of the first ≈200 fs of DMABN excited-state dynamics. Almost complete nonadiabatic population transfer from S 2 (the initially populated bright state) to S 1 takes place in less than 50 fs, without significant torsion of the dimethylamino (DMA) group. Significant torsion of the DMA group is only observed after the nuclear wavepacket reaches S 1 and acquires locally excited electronic character. Here, our results show that torsion of the DMA group is not prerequisite for nonadiabatic transitions in DMABN, although such motion is indeed relevant on the lowest excited state (S 1 ).

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

PvaPy streaming framework for real-time data processing

User facility upgrades, new measurement techniques, advances in data analysis algorithms as well as advances in detector capabilities result in an increasing amount of data collected at X-ray beamlines. Some of these data must be analyzed and reconstructed on demand to help execute experiments dynamically and modify them in real time. In turn, this requires a computing framework for real-time processing capable of moving data quickly from the detector to local or remote computing resources, processing data, and returning results to users. In this paper, we discuss the streaming framework built on top of PvaPy, a Python API for the EPICS pvAccess protocol. We describe the framework architecture and capabilities, and discuss scientific use cases and applications that benefit from streaming workflows implemented on top of this framework. We also illustrate the framework's performance in terms of achievable data-processing rates for various detector image sizes.

EPICS pvAccess↗
DOE OSTI2017

Modification of the SAS4A Safety Analysis Code for Integration with the ADAPT Discrete Dynamic Event Tree Framework.

It is difficult to assess the consequences of a transient in a sodium-cooled fast reactor (SFR) using traditional probabilistic risk assessment (PRA) methods, as numerous safety-related sys- tems have passive characteristics. Often there is significant dependence on the value of con- tinuous stochastic parameters rather than binary success/failure determinations. One form of dynamic PRA uses a system simulator to represent the progression of a transient, tracking events through time in a discrete dynamic event tree (DDET). In order to function in a DDET environment, a simulator must have characteristics that make it amenable to changing physical parameters midway through the analysis. The SAS4A SFR system analysis code did not have these characteristics as received. This report describes the code modifications made to allow dynamic operation as well as the linking to a Sandia DDET driver code. A test case is briefly described to demonstrate the utility of the changes.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2019

Implementation and assessment of resolution-dependent elastic incoherent neutron scattering measurements at a backscattering spectrometer for probing relaxations in complex systems

We introduce the use of a higher-order reflection, Si(333), of the silicon analyzer crystals at a backscattering spectrometer to implement analysis of the relaxation dynamics in the samples. Here, this is achieved by monitoring the temperature dependence of the neutron scattering intensity perceived as elastic when measured using Si(111), Si(311), and Si(333) reflections. As a test case, we use a sample with well-characterized, but complex, relaxation pattern, where the non-Lorentzian relaxation function is known to exhibit a set of parameters specific to each temperature point and scattering momentum transfer (Q) value. Even for this very general relaxation pattern, characterized by no constrains on the relaxation function parameters, we successfully map the relaxation times measured using the present approach onto those previously obtained from the full analysis of the quasielastic neutron scattering signal. Analysis of the Q-specific activation energies becomes possible for the Q values accessible simultaneously through Si(111), Si(311), and Si(333) reflections (in the present case, 0.9 Å –1 < Q < 1.9 Å –1 ). While the dedicated neutron spectrometers for this type of analysis are yet to be constructed, we show that the present-day backscattering spectrometers can be employed, under certain conditions, to analyze temperature dependence of the relaxation time in the samples not amenable to traditional full analysis of the quasielastic neutron scattering signal.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Systematic multi-machine analysis of the exhaust time-dependent behavior in tokamaks

The understanding of the time-scales and associated transient behavior of fusion exhaust plasmas plays a crucial role in its dynamic modeling and its control. This work presents an overview of experimental investigations of the exhaust dynamics in TCV, MAST-U, ASDEX-Upgrade, WEST, DIII-D, and JET. From the presented experiments, a clear picture arises on properties of the exhaust dynamics across machines. Particularly, we observe that the scrape-off layer equilibrates on fast time-scales ($>$ 70 Hz) and that exhaust dynamics measured in response to gas valve modulations mostly behave smoothly and linearly, with similarities across devices, across scenarios (H-mode, L-mode), injected species, and injection locations. The measurements presented have formed the basis for systematic exhaust control on the considered devices. We now present this database for the essential validation of dynamic exhaust models for reactor design and control.

control↗
DOE OSTI2019

A dynamic closure modeling framework for model order reduction of geophysical flows

Here in this paper, a dynamic closure modeling approach has been derived to stabilize the projection-based reduced order models in the long-term evolution of forced-dissipative dynamical systems. To simplify our derivation without losing generalizability, the proposed reduced order modeling (ROM) framework is first constructed by Galerkin projection of the single-layer quasigeostrophic equation, a standard prototype of large-scale general circulation models, onto a set of dominant proper orthogonal decomposition modes. We then propose an eddy viscosity closure approach to stabilize the resulting surrogate model considering the analogy between large eddy simulation (LES) and truncated modal projection. Our efforts, in particular, include the translation of the dynamic subgrid-scale model into our ROM setting by defining a test truncation similar to the test filtering in LES. Finally, the a posteriori analysis shows that our approach is remarkably accurate, allowing us to integrate simulations over long time intervals at a nominally small computational overhead.

42 ENGINEERING↗
DOE OSTI2016

Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarized electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of {sup 75}As, {sup 69}Ga and {sup 71}Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Highlighting the Impact of Yaw Control by Parsing Atmospheric Conditions Based on Total Variation: Preprint

Identification of atmospheric conditions within a multivariate atmospheric dataset is a necessary step in the validation of wind plant control strategies. Most often, operating conditions are characterized in terms of aggregated observations and assume that the atmosphere is 'quasi-steady'. Aggregation of observations without regard to covariance between time series discounts the dynamical nature of the atmosphere and is not sufficiently representative of wind plant operating conditions. Identification and characterization of continuous time periods with atmospheric conditions that have a high value for analysis or simulation sets the stage for more advanced model validation and the development of real-time control and operation strategies. Controlling observational data for statistical stationarity highlights significant enhancements to the power production of waked turbines under wake steering wind plant control. Considering the combined energy ratio of the turbine to which yaw offsets are prescribed as well as the waked turbine show only moderate improvements when filtering for total validation. The same quality control that highlights wake steering also serves to underpin the off-nominal operation of the controlled turbine.

17 WIND ENERGY↗
DOE OSTI2021

Computational assessment of smooth and rough parameter dependence of statistics in chaotic dynamical systems

An assumption of smooth response to small parameter changes, of statistics or long-time averages of a chaotic system, is generally made in the field of sensitivity analysis, and the parametric derivatives of statistical quantities are critically used in science and engineering. In this paper, we propose a numerical procedure to assess the differentiability of statistics with respect to parameters in chaotic systems. Here, we numerically show that the existence of the derivative depends on the Lebesgue integrability of a certain density gradient function, which we define as the derivative of logarithmic SRB density along the unstable manifold. We develop a recursive formula for the density gradient that can be efficiently computed along trajectories, and demonstrate its use in determining the differentiability of statistics. Our numerical procedure is illustrated on low-dimensional chaotic systems whose statistics exhibit both smooth and rough regions in parameter space.

42 ENGINEERING↗
DOE OSTI2016

Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

The properties of water under confinement are of practical and fundamental interest. Here in this work we study the properties of water in the self-assembled lyotropic phases of gemini surfactants with a focus on testing the standard analysis of quasi-elastic neutron scattering (QENS) experiments. In QENS experiments the dynamic structure factor is measured and fit to models to extract the translational diffusion constant, D T , and rotational relaxation time, τ R . We test this procedure by using simulation results for the dynamic structure factor, extracting the dynamic parameters from the fit as is typically done in experiments, and comparing the values to those directly measured in the simulations. We find that the decoupling approximation, where the intermediate scattering function is assumed to be a product of translational and rotational contributions, is quite accurate. The jump-diffusion and isotropic rotation models, however, are not accurate when the degree of confinement is high. In particular, the exponential approximations for the intermediate scattering function fail for highly confined water and the values of D T and τ R can differ from the measured value by as much as a factor of two. Other models have more fit parameters, however, and with the range of energies and wave-vectors accessible to QENS, the typical analysis appears to be the best choice. In the most confined lamellar phase, the dynamics are sufficiently slow that QENS does not access a large enough time scale and neutron spin echo measurements would be a valuable technique in addition to QENS.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Real-Time Xenon Sensor Analysis Report

Radiotracer release experiments were performed at the Nevada National Security Site in October 2022. The overall experiment was called the RElease ACTivity (REACT) experiment. Twenty-two real-time xenon sensors were deployed for each of four releases. Initial, quick-look analysis results were reported in December 2022. This report reviews the more comprehensive offline analysis effort that was conducted during the remainder of fiscal year 2023 by the Dynamic Networks venture. Improved energy stabilization routines were implemented along with an improved background subtraction routine compared to the original quicklook calculations. The relative detection efficiencies of all real-time sensors were examined. Finally, simulated detector response functions were coupled to two different meteorological models using the measured conditions for the final release (REACT-04) to compare simulated detections with measurements. While there is some agreement between the models and measured data on the detection locations and timing, there is less agreement on the magnitude of those detections. Future sensor and meteorological modeling work will be needed to improve the agreement and to examine the additional releases (REACT-01 through REACT-03).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗