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At least 991 records · Page 55

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DOE OSTI2020

Reconstruction of Electron and Ion Distribution Functions in a Magnetotail Reconnection Diffusion Region

In the diffusion region of magnetotail reconnection, particle distributions are highly structured, exhibiting triangular shapes and multiple striations that deviate dramatically from the Maxwellian distribution. Fully kinetic simulations have been demonstrated to be capable of producing the essential structures of the observed distribution functions, yet are computationally not feasible for 3D global simulations. The fluid models used for large-scale simulations, on the other hand, do not have the kinetic physics necessary for describing reconnection accurately. Our study aims to bridge fully kinetic and fluid simulations by quantifying the information required to capture the non-Maxwellian features in the distributions underlying the closures used in the fluid code. Here, we compare the results of fully kinetic simulations with observed electron velocity distributions in a magnetotail reconnection diffusion region and use the maximum entropy model to reconstruct electron and ion distributions using various numbers of moments obtained from the simulation. Our results indicate that using only local moments, the maximum entropy model can reproduce many of the features of the distributions: (1) the electron outflow distribution with a tilted triangular structure is reproduced with 21 or more moments in agreement with Ng et al. and (2) counterstreaming distributions can be captured with the 35-moment model when the separation in velocity space between the populations is large.

58 GEOSCIENCES↗

DOE OSTI2022

Physical characterization of fault rocks within the Opalinus Clay formation

Near-surface disposal of radioactive waste in shales is a promising option to safeguard the population and environment. However, natural faults intersecting these geological formations can potentially affect the long-term isolation of the repositories. This paper characterizes the physical properties and mineralogy of the internal fault core structure intersecting the Opalinus Clay formation, a host rock under investigation for nuclear waste storage at the Mont Terri Laboratory (Switzerland). We have performed porosity, density, microstructural and mineralogical measurements in different sections of the fault, including intact clays, scaly clays and fault gouge. Mercury intrusion porosimetry analysis reveal a gouge that has a pore network dominated by nanopores of less than 10 nm, yet a high-porosity (21%) and low grain density (2.62 g/cm 3 ) when compared to the intact rock (14.2%, and 2.69 g/cm 3 ). Thus, a more permeable internal fault core structure with respect to the surrounding rock is deduced. Further, we describe the OPA fault gouge as a discrete fault structure having the potential to act as a preferential, yet narrow, and localized channel for fluid-flow if compared to the surrounding rock. Since the fault gouge is limited to a millimetres-thick structure, we expect the barrier property of the geological formation is almost not affected.

58 GEOSCIENCES↗

DOE OSTI2023

Tailoring light-induced charge transfer and intersystem crossing in FeCO using time-dependent spin–orbit configuration interaction

Real-time (RT) electronic structure methods provide a natural framework for describing light–matter interactions in arbitrary time-dependent electromagnetic fields (EMF). Optically induced excited state transitions are of particular interest, which require tuned EMF to drive population transfer to and from the specific state(s) of interest. Intersystem crossing, or spin-flip, may be driven through shaped EMF or laser pulses. These transitions can result in long-lived “spin-trapped” excited states, which are especially useful for materials requiring charge separation or protracted excited state lifetimes. Time-dependent configuration interaction (TDCI) is unique among RT methods in that it may be implemented in a basis of eigenstates, allowing for rapid propagation of the time-dependent Schrödinger equation. The recent spin–orbit TDCI (TD-SOCI) enables a real-time description of spin-flip dynamics in an arbitrary EMF and, therefore, provides an ideal framework for rational pulse design. The present study explores the mechanism of multiple spin-flip pathways for a model transition metal complex, FeCO, using shaped pulses designed to drive controlled intersystem crossing and charge transfer. These results show that extremely tunable excited state dynamics can be achieved by considering the dipole transition matrix elements between the states of interest.

Chemistry↗

DOE OSTI2022

Conformer-Specific Dissociation Dynamics in Dimethyl Methylphosphonate Radical Cation

The dynamics of the dimethyl methylphosphonate (DMMP) radical cation after production by strong field adiabatic ionization have been investigated. Pump-probe experiments using strong field 1300 nm pulses to adiabatically ionize DMMP and a 800 nm non-ionizing probe induce coherent oscillations of the parent ion yield with a period of about 45 fs. The yields of two fragments, PO 2 C 2 H 7 + and PO 2 CH 4 + , oscillate approximately out of phase with the parent ion, but with a slight phase shift relative to each other. We use electronic structure theory and nonadiabatic surface hopping dynamics to understand the underlying dynamics. The results show that while the cation oscillates on the ground state along the P=O bond stretch coordinate, the probe excites population to higher electronic states that can lead to fragments PO 2 C 2 H 7 + and PO 2 CH 4 + . The computational results combined with the experimental observations indicate that the two conformers of DMMP that are populated under experimental conditions exhibit different dynamics after being excited to the higher electronic states of the cation leading to different dissociation products. These results highlight the potential usefulness of these pump-probe measurements as a tool to study conformer-specific dynamics in molecules of biological interest.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1978

OSO-8 X-ray spectra of clusters of galaxies. 2: Discussion

X-ray spectral parameters obtained from 2 to 20 keV OSO-8 data on X-ray clusters and optical cluster properties were examined to obtain information for restricting models for hot intracluster gas structures. Topics discussed include the radius of the X-ray core in relation to the galaxy core radius, the viral mass of hotter clusters, and galaxy density and optical central cluster properties. A population of cool, dim X-ray clusters which have not been observed is predicted. The iron abundance determinations recently quoted for intracluster gas are uncertain by 50 to greater than 100 percent from this nonstatistical cause alone.

Smith, B. W.↗

NASA NTRS1982

S IV emission-line ratios in the sun

New atomic data are presented for transitions between the five lowest levels in S IV, taking into account the fine-structure rates between the individual J levels together with the electron impact mixing rates within the levels. The values are found to differ significantly from previously published values. Using the atomic data, ionic level populations are deduced for a range of electron temperatures and densities. The results are used to calculate theoretical line intensity ratios for S IV. Excellent agreement is found with intensity ratios for a variety of solar features observed with the NRL normal incidence spectrograph on Skylab.

Dufton, P. L.↗

NASA NTRS1983

Mixture Models for Dependent Observations

Parametric mixture models appropriate for data presented in homogeneous blocks of varying sizes from several unidentified source populations are considered. For most applications, the data elements within each block are dependent. Models are proposed for multivariate normal data incorporating two types of dependence, exchangeability of elements within blocks, and a Markov structure for blocks. The consequences of assuming exchangeability, when in fact the Markov structure holds, are explored. Computational problems for each model are considered, and results of a simple test of the exchangeability hypothesis for LANDSAT data are presented.

Peters, C.↗

NASA NTRS1984

Determination of rainfall and condensational heating in the South Pacific convergence zone during FGGE SOP-1

The role of cloud related diabatic processes in maintaining the structure of the South Pacific Convergence Zone is discussed. The method chosen to evaluate the condensational heating is a diagnostic cumulus mass flux technique which uses GOES digital IR data to characterize the cloud population. This method requires as input an estimate of time/area mean rainfall rate over the area in question. Since direct observation of rainfall in the South Pacific is not feasible, a technique using GOES IR data is being developed to estimate rainfall amounts for a 2.5 degree grid at 12h intervals.

Robertson, F. R.↗

NASA NTRS1984

International Ultraviolet Explorer observations of amorphous hot galaxies

In order to better understand the nature of star formation processes in amorphous galaxies, short wavelength International Ultraviolet Explorer (IUE) spectra of galaxies NGC 1705 and NGC 1800 were obtained. The IUE data for NGC 1705 were of excellent quality while the low signal-to-noise NGC 1800 observation was useful only as a rough guide to the ultraviolet energy distribution. It was found that NGC 1705 contains a normal mix of OB stars, which is consistent with the nearly constant recent star formation rate inferred from new optical data. The NGC 1800 is likely to have similar properties, and blue galaxies with amorphous structures thus do not show evidence for anomalies in stellar mass distributions. The UV spectra of amorphous galaxies and a variety of other hot extragalactic stellar systems have similar characteristics, which suggests OB stellar populations often are homogeneous in their properties.

Lamb, S. A.↗

NASA NTRS1992

Precipitation of fast ion beams from the plasma sheet boundary layer

This paper presents a model of precipitated fluxes from the PSBL and CPS. Simulation results and data from Aureol-3 spacecraft indicate the presence of velocity dispersed precipitated ion structures (VDIS) at the poleward edge of the auroral oval. These structures are associated with fast ion beams in the PSBL region of the earth's magnetotail, confirming previous experimental results. The simulations also reveal possible substructuring of the VDIS. The bulk of the PSBL population which is not precipitated is very effectively thermalized and quasi-isotropized after multiple interactions with the magnetotail current layer. After each reflection cycle some part of the distribution is precipitated and forms multiple 'echoes' of VDIS. The CPS distributions occurring as a result of scattering, convection, multiple reflections and Fermi acceleration appear isotropic in the simulation model. This paper portrays the important role of the VDIS auroral region medium for complicated and energetically significant processes occurring in different regions of the distant magnetotail.

Ashour-Abdalla, M.↗

NASA NTRS1999

Acceleration Processes in the Cusp -- Observations by the FAST Satellite

The FAST spacecraft has encountered the Earth's cusp regions near its apogee of 4175 km on numerous occasions during its first two and half years of operations. The cusp encounters are identified by their signatures of keV dispersed ion injections of solar wind origin. The FAST instruments reveal a complex microphysics inherent to many, but not all, of the cusp regions encountered by the spacecraft, that often include upgoing ion beams within regions of downgoing electrons that may appear as series of inverted-V features with energies near a few hundred eV. In many instances, upgoing electron beams have also been observed. Intense (> 100 mV/m) spikey DC-coupled electric fields and plasma waves are common features of the cusp encounters which also provide evidence for the presence of such local acceleration processes. In some cases, the FAST data show clear modulation of the precipitating magnetosheath ions indicative that they are affected by local electric potentials, as evidenced by simultaneous electron acceleration within such intervals. Furthermore, the acceleration events are sometimes organized with an apparent cellular structure that suggest Alfven waves or other large scale phenomena are controlling the localized potentials. We examine several cusp encounters in detail in order to study the complex relation of the cusp energetic particle populations with the plasma waves and DC electric fields.

Pfaff, R. F.↗

NASA NTRS1999

Acceleration Processes in the Cusp: Observations by the FAST Satellite

The Fast Auroral Snapshot (FAST) spacecraft has encountered the Earth's cusp regions near its apogee of 4175 km on numerous occasions during its first two and half years of operations. The cusp encounters are identified by their signatures of keV dispersed ion injections of solar wind origin. The FAST instruments reveal a complex microphysics inherent to many, but not all, of the cusp regions encountered by the spacecraft, that often include upgoing ion beams within regions of downgoing electrons that may appear as series of inverted-V features with energies near a few hundred eV. In many instances, upgoing electron beams have also been observed. Intense (> 100 mV/m) spikey DC-coupled electric fields and plasma waves are common features of the cusp encounters which also provide evidence for the presence of such local acceleration processes. In some cases, the FAST data show clear modulation of the precipitating magnetosheath ions indicative that they are affected by local electric potentials, as evidenced by simultaneous electron acceleration within such intervals. Furthermore, the acceleration events are sometimes organized with an apparent cellular structure that suggest Alfv6n waves or other large scale phenomena are controlling the localized potentials. We examine several cusp encounters in detail in order to study the complex relation of the cusp energetic particle populations with the plasma waves and DC electric fields.

Pfaff, R. F.↗

NASA NTRS1999

FAST Observations of Acceleration Processes in the Cusp--Evidence for Parallel Electric Fields

The existence of precipitating keV ions in the Earth's cusp originating at the magnetosheath provide unique means to test our understanding of particle acceleration and parallel electric fields in the lower altitude acceleration region. On numerous occasions, the FAST (The Fast Auroral Snapshot) spacecraft has encountered the Earth's cusp regions near its apogee of 4175 km which are characterized by their signatures of dispersed keV ion injections. The FAST instruments also reveal a complex microphysics inherent to many, but not all, of the cusp regions encountered by the spacecraft, that include upgoing ion beams and conics, inverted-V electrons, upgoing electron beams, and spikey DC-coupled electric fields and plasma waves. Detailed inspection of the FAST data often show clear modulation of the precipitating magnetosheath ions that indicate that they are affected by local electric potentials. For example, the magnetosheath ion precipitation is sometimes abruptly shut off precisely in regions where downgoing localized inverted-V electrons are observed. Such observations support the existence of a localized process, such as parallel electric fields, above the spacecraft which accelerate the electrons downward and consequently impede the precipitating ion precipitation. Other acceleration events in the cusp are sometimes organized with an apparent cellular structure that suggests Alfven waves or other large-scale phenomena are controlling the localized potentials. We examine several cusp encounters by the FAST satellite where the modulation of energetic session on acceleration particle populations reveals evidence of localized acceleration, most likely by parallel electric fields.

Pfaff, R. F.. Jr.↗

NASA NTRS1996

Far-Infrared Water Emissions from Magnetohydrodynamic Shock Waves

Nondissociative, magnetohydrodynamic, C-type shock waves are expected to be a prodigious source of far-infrared water emissions in dense interstellar regions. We have constructed a model to calculate the farinfrared H20 line spectra that emerge from such shocks. Using the best estimates currently available for the radiative cooling rate and the degree of ion-neutral coupling within the shocked gas, we modeled the temperature structure of MHD shocks using standard methods in which the charged and neutral particles are treated separately as two weakly coupled, interpenetrating fluids. Then we solved the equations of statistical equilibrium to find the populations of the lowest 179 and 170 rotational states of ortho- and para-H2O We have completed an extensive parameter study to determine the emergent H2O line luminosities as a function of preshock density in the range n(H2) equals 10(exp 4) - 10(sup 6.5)/cc and shock velocity in the range upsilon(sub s) = 5 - 40 km/ s. We find that numerous rotational transitions of water are potentially observable using the Infrared Space Observatory and the Submillimeter Wave Astronomy Satellite and may be used as diagnostics of the shocked gas. We have also computed the rotational and ro-vibrational emissions expected from H2, CO, and OH, and we discuss how complementary observations of such emissions may be used to further constrain the shock conditions. In common with previous studies, we come close to matching the observed H2, and high-J CO emissions from the Orion-KL star-forming region on the basis of a single shock model. We present our predictions for the strengths of H2O line emission from the Orion shock, and we show how our results may be scaled to other regions where molecular shocks are likely to be present.

Kaufman, Michael J.↗

NASA NTRS2014

Assessing the Risk of Disc Heniation Related to Landing Impact Following Long-duration Spacecraft

Previous research has shown that crewmembers returning on the Space Shuttle have an increased incidence of herniated nucleus pulposus after spaceflight. This increased risk is thought to be related to disc volume expansion due to unloading and prolonged exposure to microgravity. Although there is an increased risk of disc herniation in Space Shuttle astronauts, it is unknown if dynamic landing loads further contribute to the risk of herniation. To determine if dynamic loads increase the risk of incidence, data from crewmembers (excluding cosmonauts) returning on the Soyuz spacecraft will be compared to Space Shuttle astronauts. These data will be obtained from the Lifetime Surveillance of Astronaut Health (LSAH) Project at NASA. Severity and incidence after spaceflight will be mined from the data, and statistical analyses will be used to determine if Soyuz crewmembers have a higher incidence of disc herniation than Space Shuttle crewmembers. The results are expected to show no difference between Space Shuttle and Soyuz crewmembers, indicating that higher dynamic loads on landing and long-duration spaceflight do not significantly increase the risk of disc herniation. If no difference is shown between the two crewmember populations, then disc volume expansion due to microgravity does not significantly increase the risk of injury due to dynamic loads for deconditioned crewmembers. Any risk associated with deconditioning would be primarily due to bone structure changes and resulting bone strength changes. This study is an important first step in determining whether the spinal disc plays a role in injury due to dynamic loads.

Somers, J. T.↗

DOE OSTI2020

The phase-space structure of dark matter haloes

ABSTRACT The phase space structure of dark matter haloes can be used to measure the mass of the halo, infer mass accretion rates, and probe the effects of modified gravity. Previous studies showed that the splashback radius can be measured in position space using a sharp drop in the density profile. Using N-body simulations, we model the distribution of the kinematically distinct infalling and orbiting populations of subhaloes and haloes. We show that the two are mixed spatially all the way to redge, which extends past the splashback radius defined by the drop in the spherically averaged density profile. This edge radius can be interpreted as a radius that contains a fixed fraction of the apocentres of dark matter particles. Our results highlight the possibility of measuring the outer boundary of a dark matter halo using its phase space structure and provide a firm theoretical foundation to the satellite galaxy model adopted in the companion paper, where we analysed the phase space distribution of Sloan Digital Sky Survey redMaPPer clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The Chemodynamics of the Stellar Populations in M31 from APOGEE Integrated-light Spectroscopy

We present an analysis of nearly 1000 near-infrared, integrated-light spectra from APOGEE in the inner ~7 kpc of M31. We utilize full-spectrum fitting with A-LIST simple stellar population spectral templates that represent a population of stars with the same age, [M/H], and [α/M]. With this, we determine the mean kinematics, metallicities, α abundances, and ages of the stellar populations of M31's bar, bulge, and inner disk (~4–7 kpc). We find a nonaxisymmetric velocity field in M31 resulting from the presence of a bar. The bulge of M31 is less metal-rich (mean [M/H] = $0.149$$^{+0.067}_{-0.081}$ dex) than the disk, features minima in metallicity on either side of the bar ([M/H] ~ -0.2), and is enhanced in α abundance (mean [α/M] = $0.281$$^{+0.035}_{-0.038}$). The disk of M31 within ~7 kpc is enhanced in both metallicity ([M/H] = $-0.023$$^{+0.050}_{-0.052}$) and α abundance ([α/M] = $0.274$$^{+0.020}_{-0.025}$). Both of these structural components are uniformly old at ≃12 Gyr. We find the mean metallicity increases with distance from the center of M31, with the steepest gradient along the disk major axis (0.043 ± 0.021 dex kpc -1 ). This gradient is the result of changing light contributions from the bulge and disk. The chemodynamics of stellar populations encodes information about a galaxy's chemical enrichment, star formation history, and merger history, allowing us to discuss new constraints on M31's formation. Our results provide a stepping stone between our understanding of the Milky Way and other external galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Decoding defect statistics from diffractograms via machine learning

Abstract Diffraction techniques can powerfully and nondestructively probe materials while maintaining high resolution in both space and time. Unfortunately, these characterizations have been limited and sometimes even erroneous due to the difficulty of decoding the desired material information from features of the diffractograms. Currently, these features are identified non-comprehensively via human intuition, so the resulting models can only predict a subset of the available structural information. In the present work we show (i) how to compute machine-identified features that fully summarize a diffractogram and (ii) how to employ machine learning to reliably connect these features to an expanded set of structural statistics. To exemplify this framework, we assessed virtual electron diffractograms generated from atomistic simulations of irradiated copper. When based on machine-identified features rather than human-identified features, our machine-learning model not only predicted one-point statistics (i.e. density) but also a two-point statistic (i.e. spatial distribution) of the defect population. Hence, this work demonstrates that machine-learning models that input machine-identified features significantly advance the state of the art for accurately and robustly decoding diffractograms.

36 MATERIALS SCIENCE↗