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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Spectral Signatures of Ultrafast Excited-State Intramolecular Proton Transfer from Computational Multi-edge Transient X-ray Absorption Spectroscopy

Excited state intramolecular proton transfer (ESIPT) is a fundamental chemical process with several applications. Ultrafast ESIPT involves coupled electronic and atomic motions and has been primarily studied using femtosecond optical spectroscopy. X-ray spectroscopy is particularly useful because it is element-specic and enables direct, individual probes of the proton donating and accepting atoms. Here, we report a computational study to resolve the ESIPT in 10-Hydroxybenzo[h]quinoline (HBQ), an intramolecularly hydrogen bonded compound, using time-dependent density functional theory combined with ab initio molecular dynamics (AIMD) and time-resolved X-ray absorption spectroscopy (XAS) computations to track the ultrafast excited-state dynamics. Overall, our results reveal clear X-ray spectral signatures of coupled electronic and atomic motions during and following ESIPT at the oxygen and nitrogen K-edge paving the way for future experiments at X-ray free electron lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Selective bond formation triggered by short optical pulses: quantum dynamics of a four-center ring closure

Here we report bond formation induced by an ultrashort UV pulse. The photochemical process is described by quantum dynamics as coherent electronic and nuclear motions during the ultrashort pulse induced ring closure of norbornadiene to quadricyclane. Norbornadiene consists of two ethylene moieties connected by a rigid (CH 2 ) 3 bridge. Upon photoexcitation, two new sigma bonds are formed, resulting in the closure of a four-atom ring. As a medium-sized polyatomic molecule, norbornadiene exhibits a high density of strongly coupled electronic states from about 6 eV above the ground state. We report on inducing the formation of the new bonds using a short femtosecond UV pulse to pump a non-equilibrium electronic density in the open form that evolves towards the closed ring form. As the coherent electronic-nuclear coupled dynamics unfold, the excited states change character through non-adiabatic interactions and become valence states for the two new C–C bonds of quadricyclane. Our three-dimensional fully quantum dynamical grid simulations during the first 200 fs show that short UV pulses of different polarization initiate markedly different initial non-equilibrium electronic densities that follow different dynamical paths to the S 0 /S 1 conical intersection. They lead to different initial relative yields of quadricyclane, thereby opening the way to controlling bond-making with attopulses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Multi-scale Analysis of Surface Heterogeneity Induced Convection on Isentropic Coordinates

This research uses semi-idealized simulations to investigate multi-scale processes induced by the heterogeneity of soil moisture observed during the 2016 Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign. The semi-idealized simulations have realistic land heterogeneity, but large-scale winds are removed. Analysis on isentropic coordinates enables the tracking of circulation that transports energy vertically and facilitates the identification of the primary convective processes induced by realistic land heterogeneity. The isentropes associated with upward motion are found to connect the ground characterized by high latent heat flux to cloud bases directly over the ground with high sensible heat flux, while isentropes associated with downward motion connect precipitation to the ground characterized by high sensible heat fluxes. The mixing of dry, warm parcels ascending from the ground with high sensible heat fluxes and moist parcels from high latent heat regions leads to cloud formation. This new mechanism explains how soil moisture heterogeneity provides the key ingredients such as buoyancy and moisture for shallow cloud formation. We also found that the sub-mesoscale dominates upward energy transport in the boundary layer, while mesoscale circulations contribute to vertical energy transport above the boundary layer. Our novel method better illustrates and elucidates the nature of land atmospheric interactions under irregular and realistic soil moisture patterns.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Using femtosecond pump-probe spectroscopy to shed new light on complex materials

We know a lot about events that have occurred during the earth’s history, on timescales of millions of years. We are much less familiar with events that occur on “ultra”-short timescales of less than a billionth of a second. Unlike in geology, we can actually do experiments at ultrashort timescales, so we should be able to understand the “ultrafast” world much better! Ultrafast optical spectroscopy is the only technique capable of measuring processes at the fundamental time scales of electron, lattice and nuclear motion.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Reanalysis of Public Galactic Bulge Gravitational Microlensing Events from OGLE-III and -IV

Abstract Modern surveys of gravitational microlensing events have progressed to detecting thousands per year, and surveys are capable of probing Galactic structure, stellar evolution, lens populations, black hole physics, and the nature of dark matter. One of the key avenues for doing this is the microlensing Einstein radius crossing time (t E) distribution. However, systematics in individual light curves as well as oversimplistic modeling can lead to biased results. To address this, we developed a model to simultaneously handle the microlensing parallax due to Earth's motion, systematic instrumental effects, and unlensed stellar variability with a Gaussian process model. We used light curves for nearly 10,000 OGLE-III and -IV Milky Way bulge microlensing events and fit each with our model. We also developed a forward model approach to infer the t E distribution by forward modeling from the data rather than using point estimates from individual events. We find that modeling the variability in the baseline removes a source of significant bias in individual events, and the previous analyses overestimated the number of t E > 100 day events due to their oversimplistic model ignoring parallax effects. We use our fits to identify the hundreds filling a regime in the microlensing parameter space that are 50% pure of black holes. Finally, we have released the largest-ever catalog of Markov Chain Monte Carlo parameter estimates for microlensing events.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

UAS remote sensing (DJI Phantom 4 RTK platform): RGB orthomosaic, digital surface and canopy height models, plant functional type map, Seward Peninsula, Alaska, 2019

Airborne remote sensing data collected using a DJI Phantom 4 RTK unoccupied aerial system (UAS) ? operated by the University of Maine Wheatland Geospatial Lab (https://wheatlandlab.org/). This package includes data from 17 flights flown over the NGEE-Arctic Council, Kougarok, Kougarok Mile80, Teller, and Teller Mile32 sites in July 2019. The Phantom 4 RTK is a drone platform that collects very high spatial resolution optical red/green/blue (RGB) imagery. Derived image products include point cloud, ortho-mosaiced RGB, a digital surface model (DSM) using the structure from motion (SfM) technique, and a canopy height model (CHM). Unprocessed and processed data products (1,000+ files) are included in this package (processing levels 0-3). Data and metadata are provided as text (*.txt, *.json, *hdr,), ENVI image file (*.dat), point cloud (*.laz) and image (*.jpg, *.tif, *png) formats. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1972

An investigation into some problems in analytical processing of lunar orbiter photography

Problems in analytical processing of lunar orbiter photography are discussed. The effects of image motion and image motion compensation on the location of the principal point are analyzed. The effect of the focal plane shutter on the distortion and interior geometry is examined. Real data is used to confirm the workability of a mathematical model and the use of a computer to calibrate spaceborne photographic imagery.

Ghosh, S. K.↗
NASA NTRS1981

Effects of truncation in modal representations of thermal convection

The Galerkin equations for convection in a sphere are examined to determine which physical processes are neglected by the severe truncation of the equations of motion. It is demonstrated that the gross features of the flow are affected by truncation in the horizontal direction, with all of the models considered being well resolved in the vertical direction. One of the effects of truncation is to enhance the high-wave number end of the kinetic energy and thermal variance spectra. The examples cited indicate that as long as the kinetic energy spectrum decreases with wave number, a truncation gives a qualitatively correct solution. Conclusions are tested by calculating solutions to the equations of motion for several values of the Rayleigh number and the limit of horizontal spatial resolution.

Marcus, P. S.↗
NASA NTRS1982

Large sounding rockets as a base for probing the distant magnetosphere

The Echo program's use of large sounding rockets to inject electron beams into the outer trapping region where the earth's plasma sheet interacts with the inner magnetosphere is discussed. The beams pass through the plasma sheet and the trapping region, reflect at the southern hemisphere conjugate point and return to the vicinity of the rocket where they are detected and analyzed for acceleration and diffusion processes which may also be responsible for the radiation belts. The motion of electron beams in the magnetosphere is discussed from the standpoint of single particle motion, and the trajectories of electrons injected with known energy, known angle between the electron velocity vector and the local magnetic field vector, and known position are examined. The interaction between the rocket motion and the electron drift motion is described, and the advantages and drawbacks of beam detection by optical methods and by throwaway detectors are compared. Planned Echo experiments using the Space Shuttle are discussed

Winckler, J. R.↗
NASA NTRS1984

Landsat thematic mapper attitude data processing

The Landsat 4 and 5 satellites carry a new, high resolution, seven band thematic mapper imaging instrument. The spacecraft also carry two types of attitude sensors: a gyroscopic internal reference unit (IRU) which senses angular rate from dc to about 2 Hz, and an AC-coupled angular displacement sensor (ADS) measuring angular deviation above 2 Hz. A description of the derivation of the crossover network used to combine and equalize the IRU and ADS data is made. Also described are the digital data processing algorithms which produce the time history of the satellites' attitude motion including the finite impulse response (FIR) implementation of G and F filters; the resampling (interpolation/decimation) and synchronization of the IRU and ADS data; and the axis rotations required as a result of the on-board sensor locations on three orthogonal axes.

Sehn, G. J.↗
NASA NTRS1986

Formation of the central uplift in meteoric craters

Data are presented on the sizes of impact craters with central uplifts on the earth, moon, and terrestrial planets. It is proposed that the central uplift of the Kara crater in the USSR was formed by impact metamorphism of rocks along a crater having a depth of about 600 meters. A theoretical analysis of the mechanics of hypervelocity impact cratering is used to investigate the features of shock-wave attenuation in the depths of the target and the amount of impact melt formed during this process. An attempt is made to determine the velocity of rock motion during the formation of central uplifts in terrestrial craters.

Ivanov, B. A.↗
NASA NTRS1986

Lower mass limit of an evolving interstellar cloud and chemistry in an evolving oscillatory cloud

Simultaneous solution of the equation of motion, equation of state and energy equation including heating and cooling processes for interstellar medium gives for a collapsing cloud a lower mass limit which is significantly smaller than the Jeans mass for the same initial density. The clouds with higher mass than this limiting mass collapse whereas clouds with smaller than critical mass pass through a maximum central density giving apparently similar clouds (i.e., same Av, size and central density) at two different phases of its evolution (i.e., with different life time). Preliminary results of chemistry in such an evolving oscillatory cloud show significant difference in abundances of some of the molecules in two physically similar clouds with different life times. The problems of depletion and short life time of evolving clouds appear to be less severe in such an oscillatory cloud.

Tarafdar, S. P.↗
NASA NTRS1987

The development of an air motion measurement system for NASA's Electra aircraft

The development of the Turbulent Air Motion Measurement System (TAMMS), which is to measure dynamical and photochemical processes over a wide range of spatial and temporal scales, is examined. The composition and operation of the TAMMS subsystems, which include (1) fast-response meteorological sensors; (2) a boom/inertial navigation system; (3) baseline meteorological sensors; (4) an analog/digital interface; (5) control and data acquisition; and (6) data/reduction and spectral analysis software, are described. The planned flight testing and calibration of the TAMMS are discussed. The TAMMS platform wil be able to estimate the turbulent fluxes of heat, moisture, momentum, and any chemical species for which fast-response instrumentation is available.

Ritter, J.↗
NASA NTRS1988

Signal Restoration of Non-stationary Acoustic Signals in the Time Domain

Signal restoration is a method of transforming a nonstationary signal acquired by a ground based microphone to an equivalent stationary signal. The benefit of the signal restoration is a simplification of the flight test requirements because it could dispense with the need to acquire acoustic data with another aircraft flying in concert with the rotorcraft. The data quality is also generally improved because the contamination of the signal by the propeller and wind noise is not present. The restoration methodology can also be combined with other data acquisition methods, such as a multiple linear microphone array for further improvement of the test results. The methodology and software are presented for performing the signal restoration in the time domain. The method has no restrictions on flight path geometry or flight regimes. Only requirement is that the aircraft spatial position be known relative to the microphone location and synchronized with the acoustic data. The restoration process assumes that the moving source radiates a stationary signal, which is then transformed into a nonstationary signal by various modulation processes. The restoration contains only the modulation due to the source motion.

Babkin, Alexander S.↗