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At least 433 records · Page 24

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Chemical bond reorganization in intramolecular proton transfer revealed by ultrafast X-ray photoelectron spectroscopy

Time-resolved X-ray photoelectron spectroscopy (TR-XPS) is used in a simulation study to monitor the excited state intramolecular proton transfer between oxygen and nitrogen atoms in 2-(iminomethyl)phenol. Real-time monitoring of the chemical bond breaking and forming processes is obtained through the time evolution of excited-state chemical shifts. By employing individual atomic probes of the proton donor and acceptor atoms, we predict distinct signals with opposite chemical shifts of the donor and acceptor groups during proton transfer. Details of the ultrafast bond breaking and forming dynamics are revealed by extending the classical electron spectroscopy chemical analysis to real time. Through a comparison with simulated time-resolved photoelectron spectroscopy at the valence level, the distinct advantage of TR-XPS is demonstrated thanks to its atom specificity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

The complex coronal transient of 1980 March 23

The time evolution of the coronal transient of 1980 March 23 is described, which contains as substructures a dark loop and an area of depletion similar to those seen by Fisher, Garcia, and Seagraves. The mass ejection pushes aside preexisting streamers, giving rise to the characteristic dark area with bright flanks seen in difference images of depletion transients. Time-height plots for five identifiable features in the transient event are shown; these substructures have velocities interrelated in a way approximately consistent with the hypothesis of self-similar MHD propagation. This implies that the event as a whole may be a self-similar dynamical system, and that the substructure loops are not independent units. A scenario for the event is presented, in which it is considered as a large, complex system which evolves dynamically as a whole.

Illing, R. M. E.↗

NASA NTRS2003

Mixing and Transport in the Solar Nebula

Boss & Vanhala (2000, 2001) prepared reviews of triggered collapse and injection models, using Prudence Foster's finite differences code at very high spatial resolution (440 x 1440 cells) to demonstrate the convergence of the R-T fingers in triggered injection models. A two dimensional hydrodynamical calculation with unprecedentedly high spatial resolution (960 x 2880 zones, or almost 3 million grid points) demonstrated that it suitable shock front can both trigger the collapse of an otherwise stable presolar cloud, and inject shock front particles into the collapsing cloud through the formation of what become Rayleigh-Taylor fingers of compressed fluid layers falling into the gravitational potential well of the growing protostar. These calculations suggest that heterogeneity derived from these R-T fingers will persist down to the scale of their injection onto the surface of the solar nebula. Haghighipour developed a numerical code capable of calculating the orbital evolution of dust grains of varied sizes in a gaseous nebula, subject to Epstein and Stokes drag as well as the self-gravity of the disk. In collaboration with the PI and George W. Wetherill, Haghighipour has been involved in development of a new idea on the possibility of rapid formation of ice giant planets via the disk instability mechanism. Haghighipour studied the stability of a five-body system consisting of the Sun and four protoplanets by numerically integrating their equations of motions. Using Levison and Duncan s SWIFT integrator, Haghighipour showed that, depending on the orbital parameters of the bodies, such a system can be stable for 0.1-10 Myr. Time periods of 1 Myr or more are long enough to be consistent with the time scale proposed for the formation of giant planets by the disk instability mechanism and the photoevaporation of the gaseous envelopes of the outermost protoplanets by a nearby OB star, resulting in the formation of ice giant planets. The PI has used his three dimensional models of marginally gravitationally unstable disks to study the preservation of isotopic heterogeneity in evolving protoplanetary disks. Such heterogeneity might arise from the infall onto the disk s surface of solids processed in the X-wind region of the disk, or derived from stellar nucleosynthesis and injected by R-T fingers. The technique used consists of solving a color equation, identical to the gas continuity equation, which follows the time evolution in three space dimensions of an arbitrarily placed initial color field, i.e., a dye inserted the disk. The models show that significant concentrations of color could persist for time periods of about a thousand years or more, even in the most dynamically active region of such a disk. Such a time period might be long enough for solids to coagulate and grow to significant sizes while retaining the isotopic signature of their birth region in the nebula.

Boss, Alan P.↗

DOE OSTI2020

A random unitary circuit model for black hole evaporation

Inspired by the Hayden-Preskill protocol for black hole evaporation, we consider the dynamics of a quantum many-body qudit system coupled to an external environment, where the time evolution is driven by the continuous limit of certain 2-local random unitary circuits. We study both cases where the unitaries are chosen with and without a conserved U(1) charge and focus on two aspects of the dynamics. First, we study analytically and numerically the growth of the entanglement entropy of the system, showing that two different time scales appear: one is intrinsic to the internal dynamics (the scrambling time), while the other depends on the system-environment coupling. In the presence of a U(1) conserved charge, we show that the entanglement follows a Page-like behavior in time: it begins to decrease in the middle stage of the “evaporation”, and decreases monotonically afterwards. Second, we study the time needed to retrieve information initially injected in the system from measurements on the environment qudits. Based on explicit numerical computations, we characterize such time both when the retriever has control over the initial configuration or not, showing that different scales appear in the two cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1984

The dynamic fission instability and the origin of the Moon

A theory for the formation of the Moon which involves the dynamic fission of a rapidly rotating protoplanet, which might then result in the formation of the Earth and the Moon is discussed. The fission hypothesis was originally based on analytic, linearized models of the growth of asymmetry in homogenous bodies. The fully nonlinear evolution of the dynamic instability in inviscid, compressible bodies was calculated by numerical techniques. It was found that the dynamic instability degenerates into the ejection of a ring of matter with a substantial fraction of the mass, leaving behind a central body with most of the mass. The linearized analytical approach and the numerical approach were used to show that dynamic fission probably does not occur in rocky protoplanets. The numerical calculations are performed with a fully three dimensional hydrodynamical code, which allows the nonlinear, time evolution of the instability to be followed. Sequences of uniformly rotating equilibria were constructed and are used as the initial models for the fission calculations. An initially imposed asymmetry consisting of a 10% binary perturbation in the density was found to disappear on the rotational period time scale. No dynamic instability occurred. This result are verified by including the velocity dissipation terms in the linearized analysis of the stability of a Maclaurin spheroid: the dynamic instability disappears when the simulated viscous dissipation terms are included. It is concluded that any rocky body, even with considerable partial melt or a molten core, should be stable to dynamic fission; any rotational instability that occurs can only result in equatorial mass loss.

Boss, A. P.↗

NASA NTRS2011

Incorporation of an Energy Equation into a Pulsed Inductive Thruster Performance Model

A model for pulsed inductive plasma acceleration containing an energy equation to account for the various sources and sinks in such devices is presented. The model consists of a set of circuit equations coupled to an equation of motion and energy equation for the plasma. The latter two equations are obtained for the plasma current sheet by treating it as a one-element finite volume, integrating the equations over that volume, and then matching known terms or quantities already calculated in the model to the resulting current sheet-averaged terms in the equations. Calculations showing the time-evolution of the various sources and sinks in the system are presented to demonstrate the efficacy of the model, with two separate resistivity models employed to show an example of how the plasma transport properties can affect the calculation. While neither resistivity model is fully accurate, the demonstration shows that it is possible within this modeling framework to time-accurately update various plasma parameters.

Polzin, Kurt A.↗

DOE OSTI2020

Electrochemical Li Intercalation in Black Phosphorus: In Situ and Ex Situ Studies

A systematic study on electrochemical charge transfer in Li-doped black phosphorous (BP) was carried out by both in-situ and ex-situ Raman scattering. Galvanostatic discharge of dedicated in-situ electrochemical cell for Raman spectroscopy was used to study time evolution of vibrational modes under lithiation. In addition to the peak broadening which is a result of structural expansion, peaks corresponding to all three atomic vibrational modes A 1 g , B 2 g and A 2 g were found to red-shift as a result of lithiation. Peaks B 2 g and A 2 g were shifted about 1.6 times more towards lower wavenumbers in comparison to A 1 g . Further characterizations using optical and electron microscopy showed that the intercalation of BP is highly anisotropic, where channels along the zigzag direction were found to be the easy direction for intercalation. X-ray diffraction on intercalated samples confirmed a reduction of thickness as lithiation weakens interlayer bonding, thus resulting in a partial exfoliation of BP flakes. Here, first principle studies using density function theory (DFT) were used to develop a theoretical model for the intercalation mechanism. The discrepancy between the experimental and the theoretical results was also addressed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Sequential Fracture Activation and Stress Evolution During EGS Stimulation at Utah FORGE Revealed by Waveform Cross‐Correlation

Mapping fracture networks in Enhanced Geothermal Systems (EGS) is essential for optimizing reservoir performance, yet complex fracture evolution during stimulation remains difficult to resolve. This study examines the evolution of microseismicity and fracture networks during stage 3 of the 2022 EGS stimulation at the Utah Frontier Observatory for Research in Geothermal Energy site. We map the fracture network represented by 20 clusters of seismic events identified by waveform similarities with cross-correlation. We characterize their geometric properties such as strike, dip, length, and width, and analyze the time evolution of activated fractures. The results reveal a systematic fracture evolution: early activation of pre-existing natural fractures, complex network development during peak injection, and continued activation of less favorably oriented fractures post-injection. Magnitude calibration using the Principal Component Analysis of cross-correlated waveforms improves relative amplitude measurements, refining estimations of the Gutenberg-Richter b-values with spatial variations in b-values suggesting stress re-distribution across the stimulated area. Analysis of the stress state of selected fractures further shows that fractures requiring higher excess pore pressure primarily activate at the end of injection and post-injection, highlighting stress transfer due to pore pressure as a dominant triggering mechanism. These findings provide insights into fracture propagation, stress evolution, and seismic hazard assessment in EGS reservoirs.

Asirifi, Richard [Texas A & M Univ., College Stati↗

NASA NTRS1985

Solar physics applications of computer graphics and image processing

Computer graphics devices coupled with computers and carefully developed software provide new opportunities to achieve insight into the geometry and time evolution of scalar, vector, and tensor fields and to extract more information quickly and cheaply from the same image data. Two or more different fields which overlay in space can be calculated from the data (and the physics), then displayed from any perspective, and compared visually. The maximum regions of one field can be compared with the gradients of another. Time changing fields can also be compared. Images can be added, subtracted, transformed, noise filtered, frequency filtered, contrast enhanced, color coded, enlarged, compressed, parameterized, and histogrammed, in whole or section by section. Today it is possible to process multiple digital images to reveal spatial and temporal correlations and cross correlations. Data from different observatories taken at different times can be processed, interpolated, and transformed to a common coordinate system.

Altschuler, M. D.↗

NASA NTRSDate not supplied

Evolution of Dendritic Extended 3D Patterns during Directional Solidification: Microgravity Experiments in DECLIC-DSI onboard ISS and Phase-field Modeling

To characterize the dynamical formation of three-dimensional (3D) arrays of dendrites under diffusive growth conditions, in situ monitoring of a series of experiments on a transparent succinonitrile – 0.46 wt% camphor model alloy was carried out under low gravity in the DECLIC Directional Solidification Insert onboard the International Space Station. These experiments offer continuous interface observation and enable the construction of space-time evolution maps of dendrite location and primary spacing during directional solidification. We present the evolution of dendritic extended 3D patterns for a large range of parameters displaying different levels of side branching in both experiments and phase-field simulations. The combined and separate effects of macroscopic interface curvature and crystal mis-orientation are evidenced and detailed. In addition, the aligned dendritic array caused by the invasion of dendrites formed at the edge of the crucible border is investigated.

Kaihua Ji↗

NASA NTRS2003

Rapid Acceleration of a Coronal Mass Ejection in the Low Corona and Implications of Propagation

A high-velocity Coronal Mass Ejection (CME) associated with the 2002 April 21 X1.5 flare is studied using a unique set of observations from the Transition Region and Coronal Explorer (TRACE), the Ultraviolet Coronagraph Spectrometer (UVCS), and the Large-Angle Spectrometric Coronagraph (LASCO). The event is first observed as a rapid rise in GOES X-rays, followed by simultaneous conjugate footpoint brightenings connected by an ascending loop or flux-rope feature. While expanding, the appearance of the feature remains remarkably constant as it passes through the TRACE 195 A passband and LASCO fields-of-view, allowing its height-time behavior to be accurately determined. An analytic function, having exponential and linear components, is found to represent the height-time evolution of the CME in the range 1.05-26 R. The CME acceleration rises exponentially to approx. 900 km/sq s within approximately 20-min, peaking at approx.1400 m/sq s when the leading edge is at approx. 1.7 R. The acceleration subsequently falls off as a slowly varying exponential for approx.,90-min. At distances beyond approx. 3.4 R, the height-time profile is approximately linear with a constant velocity of approx. 2400 km/s. These results are briefly discussed in light of recent kinematic models of CMEs.

Gallagher, Peter T.↗

DOE OSTI2021

Ultrafast Adsorbate Excitation Probed with Subpicosecond-Resolution X-Ray Absorption Spectroscopy

We use a pump-probe scheme to measure the time evolution of the C K-edge x-ray absorption spectrum from CO/Ru(0001) after excitation by an ultrashort high-intensity optical laser pulse. Because of the short duration of the x-ray probe pulse and precise control of the pulse delay, the excitation-induced dynamics during the first picosecond after the pump can be resolved with unprecedented time resolution. By comparing with density functional theory spectrum calculations, we find high excitation of the internal stretch and frustrated rotation modes occurring within 200 fs of laser excitation, as well as thermalization of the system in the picosecond regime. The ~100 fs initial excitation of these CO vibrational modes is not readily rationalized by traditional theories of nonadiabatic coupling of adsorbates to metal surfaces, e.g., electronic frictions based on first order electron-phonon coupling or transient population of adsorbate resonances. Finally, we suggest that coupling of the adsorbate to nonthermalized electron-hole pairs is responsible for the ultrafast initial excitation of the modes.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Charging, aggregation, and electrostatic dispersion of radioactive and nonradioactive particles in the atmosphere

Electrostatic dispersion can significantly impact the microphysical behavior of charged particles and ions until reaching zero space charge. However, although radioactive particles can be strongly charged in air, the influence of electrostatic dispersion has been neglected in understanding their behavior. This study is aimed at investigating the time evolution of the charge and size distributions of radioactive and nonradioactive particles in air and developing simple approaches for applications. With processes involving charging, aggregation, and electrostatic dispersion, a comprehensive population balance model (PBM) has been developed to examine particle charge/size distribution dynamics. It is shown that compared to nonradioactive particles, the charge and size distributions of radioactive particles may evolve differently with time because radioactivity and electrostatic dispersion can significantly affect the charging and aggregation kinetics of the particles. It is found that, after the Fukushima accident, background aerosols in the pathway of radioactive plumes might be highly charged due to ionizing radiation, suggesting that radiation fields may strongly influence in situ measurements of charged atmospheric particles. The comprehensive PBM is simplified, and then the verification and application of the simplified PBMs are discussed. This study provides useful insight into how radioactivity can affect the dynamic behavior of particles in atmospheric systems including radiation sources.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1989

Distribution function of continuously created newborn and pickup ions in outer cometary exospheres

The time evolution of the distribution function of newborn ions in the solar wind is investigated using a quasi-linear-type diffusion equation. The initial distribution is taken to be a ring beam, which is approximated by delta function in pitch angle and velocity, and it is assumed that the ions are created at a constant rate with a similar distribution. A long-time asymptotic form of ion distribution is obtained, which is a mixture of newborn ions and ions generated throughout the entire process. It is shown that the time asymptotic distribution function exists even in the presence of a continuous ionization process. The stability of the long-time asymptotic distribution was examined for the case of parallel propagation, and the results show that the distribution function can be unstable to low-frequency hydromagnetic waves. The results of the analysis were found to agree with recent satellite observations.

Gaffey, J. D., Jr.↗

DOE OSTI2025

Hardware-Efficient Quantum Phase Estimation via Local Control

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary evolution conditioned on the state of one or more auxiliary qubits, posing a significant challenge for current quantum devices. In this work, we present an approach to quantum phase estimation that uses only locally controlled operations, resulting in a significantly reduced circuit depth. At the heart of our approach are efficient routines to measure the complex phase of the expectation value of the time-evolution operator, the so-called Loschmidt echo, for both circuit dynamics and Hamiltonian dynamics. By tracking changes in the phase during the dynamics, the routines trade circuit depth for increased sampling cost and classical postprocessing. Our approach does not rely on reference states and is applicable to any efficiently preparable state, regardless of its correlations. We provide a comprehensive analysis of the sample complexity and illustrate the results with numerical simulations. Our methods offer a practical pathway for measuring spectral properties in large many-body quantum systems using current quantum devices.

Schiffer, Benjamin F. [Max Planck Institute of Qua↗

NASA NTRS1992

Laboratory study of the temporal evolution of the current-voltage characteristic of a probe in the wake of an object immersed in a pulsed flowing plasma

Measurements of the current-voltage characteristics of a Langmuir probe in the near wake of a disk immersed in a pulsed flowing plasma were made. A 1 cm diameter biasable sphere was placed in the ion-free near wake region of a 10 cm diameter disk immersed in a Mach 8 pulsed flowing plasma. The current-voltage characteristic of the sphere was observed as a function of time as the sphere bias was scanned from -5000 V to +1000 V. The collected current is found to be monotonically increasing with increasing positive bias voltage but exhibits a threshold voltage for current collection as the bias voltage becomes more negative. Potential measurements in the wake region were made for a sphere bias voltages below, at, and above the current collection threshold for a number of times during the wake formation period. The time evolution of the potential profile is shown to change as the sheath around the biased sphere is established. Predictions from the particle trajectory code SIMION are compared with data, showing excellent agreement in the prediction of the current collection threshold.

Meassick, S.↗

NASA NTRS2006

Constraining Numerical Geodynamo Modeling with Surface Observations

Numerical dynamo solutions have traditionally been generated entirely by a set of self-consistent differential equations that govern the spatial-temporal variation of the magnetic field, velocity field and other fields related to dynamo processes. In particular, those solutions are obtained with parameters very different from those appropriate for the Earth s core. Geophysical application of the numerical results therefore depends on correct understanding of the differences (errors) between the model outputs and the true states (truth) in the outer core. Part of the truth can be observed at the surface in the form of poloidal magnetic field. To understand these differences, or errors, we generate new initial model state (analysis) by assimilating sequentially the model outputs with the surface geomagnetic observations using an optimal interpolation scheme. The time evolution of the core state is then controlled by our MoSST core dynamics model. The final outputs (forecasts) are then compared with the surface observations as a means to test the success of the assimilation. We use the surface geomagnetic data back to year 1900 for our studies, with 5-year forecast and 20-year analysis periods. We intend to use the result; to understand time variation of the errors with the assimilation sequences, and the impact of the assimilation on other unobservable quantities, such as the toroidal field and the fluid velocity in the core.

Kuang, Weijia↗

NASA NTRS1998

Equatorial Density Irregularity Structures at Intermediate Scales and Their Temporal Evolution

We examine high resolution measurements of ion density in the equatorial ionosphere from the AE-E satellite during the years 1977-1981. Structure over spatial scales from 18 km to 200 m is characterized by the spectrum of irregularities at larger and smaller scales and at altitudes above 350 km and below 300 km. In the low-altitude region, only small amplitude large-scale (lambda greater than 5 km) density modulations are often observed, and thus the power spectrum of these density structures exhibits a steep spectral slope at kilometer scales. In the high-altitude region, sinusoidal density fluctuations, characterized by enhanced power near 1-km scale, are frequently observed during 2000-0200 LT. However, such fluctuations are confined to regions at the edges of larger bubble structures where the average background density is high. Small amplitude irregularity structures, observed at early local time hours, grow rapidly to high-intensity structures in about 90 min. Fully developed structures, which are observed at late local time hours, decay very slowly producing only-small differences in spectral characteristics even 4 hours later. The local time evolution of irregularity structure is investigated by using average statistics for low-(1% less than sigma less than 5%) and high-intensity (sigma greater than 10%) structures. At lower altitudes, little chance in the spectral slope is seen as a function of local time, while at higher attitudes the growth and maintenance of structures near 1 km scales dramatically affects the spectral slope.

Kil, Hyosub↗