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All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

The infall velocity toward Virgo, the Hubble constant, and a search for motion toward the microwave background

The perturbation of the local velocity field due to the overdensity of the Virgo complex (VC) is investigated theoretically, using an idealized spherically symmetric Virgocentric flow model and testing for a correlation between cos theta (where theta is the angle from the VC direction to eight groups and clusters with velocity 800-2500 km/s) and the relevant velocity residuals. The data and results are presented in extensive tables, graphs, and a map in extragalactic coordinates. The infall of the Local Group (LG) toward the VC is estimated as 200 + or - 50 km/s, corresponding to a mean mass/light ratio M/L(B) = about 70 for a sphere centered at the VC core and extending to the LG. The rate of free expansion within the VC is estimated as 52 + or 2 km/s Mpc for a VC distance of 21.6 Mpc. It is pointed out that the LG infall toward the VC cannot account for observations of an apparent 630-km/s motion of the LG toward the microwave background.

Tammann, G. A.↗
NASA NTRS1992

Nonlocal analysis of finite-beam-driven instabilities

The fully kinetic integral eigenmode equation in wave-number space is used to describe the nonlocal behavior of electrostatic waves in an electron-beam plasma, which are studied in the low-temperature-beam regime and the warm-beam regime. The case of strongly magnetized electrons and unmagnetized ions, which corresponds to the waves in a frequency range from the lower-hybrid to the electron plasma frequency, is examined. Three wave modes are found. The first group consists of modes that have dispersive properties similar to the uniform, infinite beam-plasma system. Depending on the beam width, the growth rates are strongly reduced. The second group, surface modes, are localized at the periphery of the beam region and are less unstable than the unstable modes of the first group. The third group represents natural oscillations of the background plasma. These modes are virtually unaffected by the beam.

Serizawa, Y.↗
DOE OSTI2023

An Extensive Catalog of Early-type Dwarf Galaxies in the Local Universe: Morphology and Environment

We present an extensive catalog of 5405 early-type dwarf (dE) galaxies located in the various environments, i.e., clusters, groups, and fields, of the local universe (z < 0.01). The dEs are selected through visual inspection of the Legacy survey's g–r–z combined tricolor images. The inspected area, covering a total sky area of 7643 deg 2 , encompasses two local clusters (Virgo and Fornax), 265 groups, and the regions around 586 field galaxies of M K < -21 mag. The catalog aims to be one of the most extensive and publicly accessible collections of data on dEs, despite its complex completeness limits, which may not accurately represent its statistical completeness. The strength of the catalog lies in the morphological characteristics, including nucleated, tidal, and ultradiffuse dEs. The two clusters contribute nearly half (2437 out of 5405) of the dEs, and the 265 groups contribute 2103 dEs. There are 864 dEs in 586 fields, i.e., ~1.47 dEs per field. Using a standard definition commonly used in literature, we identify 100 ultradiffuse galaxies (UDGs), which compose ~2% of the dE population. We find that 40% of our sample dEs harbor a central nucleus, and among the UDG population, a majority (79%) are nonnucleated. About 1.3% of dEs suffer from ongoing tidal disturbance by nearby massive galaxies, and only 0.03% show a sign of recent dwarf–dwarf mergers. The association between dEs and their nearest bright neighbor galaxies suggests that dEs are more likely created where their neighbors are non-star-forming ones.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1996

Regional and Localized Deposits on the Moon

Earth-based telescopic remote sensing studies have provided important information concerning lunar pyroclastic deposits. Combined with the returned lunar sample studies and analyses of lunar photography, we have learned a great deal about the nature and origin of these explosive volcanic materials. Lunar pyroclastic deposits are more numerous, extensive, and widely distributed than previously thought. Two generic classes of lunar pyroclastics have been identified, regional and localized. From the former, two separate spectral compositional groups have been identified; one is dominated by Fe(2+)-bearing glasses, the other is composed of ilmenite-rich black spheres. Comparatively, three separate spectral groups have been identified among the localized deposits: highlands-rich, olivine-rich, and mare-rich. Returned sample studies and the recently collected Galileo and Clementine data also corroborate these findings. Albedo data and multispectral imagery suggest that the thicker core deposits of the regional dark mantle deposits (RDMD) are surrounded by pyroclastic debris and subjacent highlands material. The presence of a major component of pyroclastic debris in the regolith surrounding the core regional deposits has important implications for the resource potential of these materials. Both telescopic and orbital spectra indicate that the regional pyroclastic deposits are rich in iron, titanium and oxygen-bearing minerals. Particle shapes vary from simple glass spheres to compound droplets with quench crystallized textures. Their small grain size and friability make them ideal indigenous feedstock. Compared to other resource feedstock sources on the Moon, these pyroclastic materials may be the best oxygen resource on the Moon.

Coombs, Cassandra R.↗
NASA NTRS1994

A new approach to the photon localization problem

Since wavelets form a representation of the Poincare group, it is possible to construct a localized superposition of light waves with different frequencies in a Lorentz-covariant manner. This localized wavelet satisfies a Lorentz-invariant uncertainty relation, and also the Lorentz-invariant Parseval's relation. A quantitative analysis is given for the difference between photons and localized waves. It is then shown that this localized entity corresponds to a relativistic photon with a sharply defined momentum in the non-localization limit. Waves are not particles. It is confirmed that the wave-particle duality is subject to the uncertainty principle.

Han, D.↗
DOE OSTI2022

$\mathrm{BPS}$ coherent states and localization

We introduce coherent states averaged over a gauge group action to study correlators of half BPS states in $\mathcal{N}$= 4 SYM theory. The overlaps of these averaged coherent states are a generating function of correlators and can be written in terms of the Harish-Chandra-Itzykzon-Zuber (HCIZ) integral. We show that this formula immediately leads to a computation of the normalization of two point functions in terms of characters obtained originally in the work of Corley, Jevicki and Ramgoolam. We also find various generalizations for A n–1 quivers that follow directly from other solvable integrals over unitary groups. All of these can be computed using localization methods. When we promote the parameters of the generating function to collective coordinates, there is a dominant saddle that controls the effective action of these coherent states in the regime where they describe single AdS giant gravitons. We also discuss how to add open strings to this formulation. These will produce calculations that rely on correlators of matrix components of unitaries in the ensemble that is determined by the HCIZ integral to determine anomalous dimensions. We also discuss how sphere giants arise from Grassman integrals, how one gets a dominant saddle and how open strings are added in that case. The fact that there is a dominant saddle helps to understand how a 1/N expansion arises for open strings. We generalize the coherent state idea to study 1/4 and 1/8 BPS states as more general integrals over unitary groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Designs from Local Random Quantum Circuits with SU ( d ) Symmetry

The generation of k -designs (pseudorandom distributions that emulate the Haar measure up to k moments) with local quantum circuit ensembles is a problem of fundamental importance in quantum information and physics. Despite the extensive understanding of this problem for ordinary random circuits, the crucial situations in which symmetries or conservation laws are in play are known to pose fundamental challenges and remain little understood. Here, we construct explicit local unitary ensembles that can achieve high-order unitary k -designs under transversal continuous symmetry, in the particularly important SU ( d ) case. Specifically, we define the convolutional quantum alternating (CQA) group generated by 4-local SU ( d ) -symmetric Hamiltonians as well as associated 4-local SU ( d ) -symmetric random unitary circuit ensembles and prove that they form and converge to SU ( d ) -symmetric k -designs, respectively, for all k < n ( n − 3 ) / 2 , with n being the number of qudits. A key technique that we employ to obtain the results is the Okounkov-Vershik approach to S n representation theory. To study the convergence time of the CQA ensemble, we develop a numerical method using the Young orthogonal form and the S n branching rule. We provide strong evidence for a subconstant spectral gap and certain convergence time scales of various important circuit architectures, which contrast with the symmetry-free case. We also provide comprehensive explanations of the difficulties and limitations in rigorously analyzing the convergence time using methods that have been effective for cases without symmetries, including Knabe’s local gap threshold and Nachtergaele’s martingale methods. This suggests that a novel approach is likely necessary for understanding the convergence time of SU ( d ) -symmetric local random circuits. Published by the American Physical Society 2024

Li, Zimu (ORCID:0000000314736492)↗
DOE OSTI2023

Local and large-scale effects on the astrophysics of void galaxies

ABSTRACT Galaxies in cosmic voids have been reported with properties related to a delayed evolution compared to the rest of the Universe. These characteristics reflect the interaction of galaxies with the environment. However, it is not clear the degree of influence of the large-scale structure on the properties of void galaxies or if these are only influenced by the low local density around them typical of these regions. In this article, we identified cosmic voids in the SDSS-DR16 and studied the g–r colour, star formation rate, and concentration of galaxies. We identified galaxy groups to characterize the local environment and studied the properties of galaxies as a function of total and stellar masses, separately analysing those in voids and the general sample. Our results show that galaxies that inhabit haloes of a given mass (below ${\sim}10^{13.5}{\rm M}_{\odot }$), are bluer, have a higher star formation rate and are less concentrated when the host halo is inside voids compared to other regions. For larger halo masses, the trend disappears. We also analyse whether the properties of galaxies are sensitive to the type of voids that inhabit. This is done by separating voids embedded in overdense regions (S-type) from those that asymptotically converge to the average density of the Universe (R-type). We found that galaxies in R-type voids are bluer, with higher SFR and less concentration than in S-type voids. Our results indicate some degree of correlation of galaxy properties with the large-scale environment provided by voids, suggesting possible second-order mechanisms in galaxy evolution.

Astronomy & Astrophysics↗
NASA NTRS2010

ADAS Update and Maintainability

Since 2000, both the National Weather Service Melbourne (NWS MLB) and the Spaceflight Meteorology Group (SMG) have used a local data integration system (LOIS) as part of their forecast and warning operations. The original LOIS was developed by the Applied Meteorology Unit (AMU) in 1998 (Manobianco and Case 1998) and has undergone subsequent improvements. Each has benefited from three-dimensional (3-D) analyses that are delivered to forecasters every 15 minutes across the peninsula of Florida. The intent is to generate products that enhance short-range weather forecasts issued in support of NWS MLB and SMG operational requirements within East Central Florida. The current LDIS uses the Advanced Regional Prediction System (ARPS) Data Analysis System (AD AS) package as its core, which integrates a wide variety of national, regional, and local observational data sets. It assimilates all available real-time data within its domain and is run at a finer spatial and temporal resolution than current national or regional-scale analysis packages. As such, it provides local forecasters with a more comprehensive understanding of evolving fine-scale weather features. Over the years, the LDIS has become problematic to maintain since it depends on AMU-developed shell scripts that were written for an earlier version of the ADAS software. The goals of this task were to update the NWS MLB/SMG LDIS with the latest version of ADAS, incorporate new sources of observational data, and upgrade and modify the AMU-developed shell scripts written to govern the system. In addition, the previously developed ADAS graphical user interface (GUI) was updated. Operationally, these upgrades will result in more accurate depictions of the current local environment to help with short-range weather forecasting applications, while also offering an improved initialization for local versions of the Weather Research and Forecasting (WRF) model used by both groups.

Watson, Leela R.↗
DOE OSTI2022

Modeling Photolytic Decomposition of Energetically Functionalized Dodecanes

The photolytic stability of explosives and energetic functional groups is of importance for those who regularly handle or are exposed to explosives in typical environmental conditions. This study models the photolytic degradation of dodecane substituted with various energetic functional groups: azide, nitro, nitrate ester, and nitramine. For the studied molecules, it was found that excitons localize on the energetic functional group, no matter where they were initially formed, and thus, the predominant degradation pathway involves the degradation of the energetic functional group. The relative trends for both 4 and 8 eV excitation energies followed with what is expected from the relative stability of the energetic functional groups to thermal and sub-shock degradation. The one notable exception was the azide functional group; more work should be done to further understand the photolytic effects on the azide functional group.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

UAM Vision Concept of Operations (ConOps) UAM Maturity Level (UML) 4

This Vision ConOps is intended as a foundation to engage members of the UAM community and provide a consensus on the future vision of UAM operations. It provides a concept for more detailed discussion and a basis for the exploration of ideas using a common framework to inform the continued development and integration of UAM as part of the broader transportation system. Advanced Air Mobility (AAM) encompasses a range of innovative aviation technologies (small drones, electric aircraft, automated air traffic management, etc.) that are transforming aviation’s role in everyday life, including the movement of goods and people. Urban Air Mobility (UAM) represents one of the most exciting and complex AAM concepts with highly automated aircraft, providing commercial services to the public over densely populated cities. This concept has generated tremendous interest and industry investment. UAM envisages a future in which advanced technologies and new operational procedures enable practical, cost-effective air travel as an integral mode of transportation in metropolitan areas. It represents one of the most exciting and complex AAM concepts with highly automated aircraft providing commercial services to the public over densely populated cities. For this reason, the National Aeronautics and Space Administration (NASA) selected UAM as the initial goal of its AAM efforts and the focus of this Vision Concept of Operations (ConOps) document. UAM Community Vision ConOps: This Vision ConOps effort was led by experts from NASA’s Aeronautics Research Mission Directorate (ARMD) in collaboration with the Federal Aviation Administration (FAA) and Deloitte’s Ecosystem Advisory Group (a cohort of advisers with aviation, aerospace, and regulatory expertise). To develop this Vision ConOps, NASA, FAA, and Deloitte built upon the current body of aeronautical research and consulted with more than 100 stakeholder organizations. This UAM community includes entities ranging from legacy aviation leaders to innovators and new market entrants. Stakeholders consulted included the federal government, state and local government, aerospace original equipment manufacturers (OEMs), local transportation organizations, prospective UAM operators, academia, industry standards-setting bodies, airports, service suppliers, and others (as described in Appendix G). This input was captured through the following methods: • A series of more than two dozen interviews with industry experts, federal regulators, state and local governments, and industry trade groups provided insight into the challenges of UAM integration into the National Airspace System (NAS), as well as technology developments and a variety of perspectives as to how UAM systems will integrate. • A series of two-day community workshops enabling active, detailed engagement of nearly 100 industry, academic, federal, and state stakeholder individuals. These workshops, hosted by NASA and Deloitte, explored UAM concepts in detail, and stakeholders were invited to collaboratively analyze and propose solutions to some of the greatest conceptual challenges behind UAM at an intermediate state. • A review of more than 160 sources of UAM literature from across government, industry, and academia, which are listed in Appendix H. • The public sharing of workshop input and document drafts for review and input across the UAM community. Feedback in the form of more than 1,000 comments and inputs on the document was received from industry groups, individual companies, academia, and government (federal, state, and local), among others. Although effort was made to incorporate inputs from across the UAM stakeholder group, not all comments could ultimately be incorporated in this version. The team resolved conflicting comments or ideas while maintaining consistency with the known direction of regulators and ensuring the document was coherent and consistent. It is recognized that this is a rapidly evolving area and that concepts will likely change over time; as such, this Vision ConOps is a living document and is expected to evolve as concepts mature. The ConOps does, however, provide a vision of UAM concepts and solutions based on the broad insights from across the UAM stakeholder community at the time of its publication and is intended to serve as a UAM North Star for continued research and development of UAM. As a broad Vision ConOps, is not a detailed engineering document; rather, it focuses primarily on outlining a broad, high-level vision across all aspects of a UAM transportation system.

Urban Air Mobility↗
DOE OSTI2022

Subdiffusive High-Pressure Hydrogen Gas Dynamics in Elastomers

We report elastomeric rubber materials serve a vital role as sealing materials in the hydrogen storage and transport infrastructure. With applications including O-rings and hose liners, these components are exposed to pressurized hydrogen at a range of temperatures, cycling rates, and pressure extremes. High-pressure exposure and subsequent rapid decompression often lead to cavitation and stress-induced damage of the elastomer due to localization of the hydrogen gas. Here, we use all-atom classical molecular dynamics simulations to assess the impact of compositional variations on gas diffusion within the commonly used elastomer ethylene–propylene–diene monomer (EPDM). With the aim to build a predictive understanding of precursors to cavitation and to motivate material formulations that are less sensitive to hydrogen-induced failure, we perform systematic simulations of gas dynamics in EPDM as a function of temperature, gas concentration, and cross-link density. Our simulations reveal anomalous, subdiffusive hydrogen motion at pressure and intermediate times. We identify two groups of gas with different mobilities: one group exhibiting high mobility and one group exhibiting low mobility due to their motion being impeded by the polymer. With decreasing temperatures, the low-mobility group shows increased gas localization, the necessary precursor for cavitation damage in these materials. At lower temperatures, increasing cross-link density led to greater hydrogen gas mobility and a lower fraction of caged hydrogen, indicating that increasing cross-link density may reduce precursors to cavitation. Finally, we use a two-state kinetic model to determine the energetics associated with transitions between these two mobility states.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Probable calcified metaphytes in the latest Proterozoic Nama Group, Namibia: origin, diagenesis, and implications

Samples from the Huns Limestone Member, Urusis Formation, Nama Group, at two adjacent localities in southern Namibia contain thin foliose to arched, sheet-like carbonate crusts that are 100-500 micrometers thick and up to 5 cm in lateral dimension. Morphologic, petrographic, and geochemical evidence supports the interpretation of these delicate crusts as biogenic, most likely the remains of calcified encrusting metaphytes. The original sediments of the fossiliferous samples contained aragonitic encrusting algae, botryoidal aragonite cements, and an aragonite mud groundmass. Spherulites within the precursor mud could represent bacterially induced mineral growths or the concretions of marine rivularian cyanobacteria. Original textures were severely disrupted during the diagenetic transition of aragonite to low-magnesian calcite, but some primary structures remain discernible as ghosts in the neomorphic mosaic. Gross morphology, original aragonite mineralogy, and hypobasal calcification indicate that the crusts are similar to late Paleozoic phylloid algae and extant peyssonnelid red algae. Structures interpreted as possible conceptacles also suggest possible affinities with the Corallinaceae. Two species of Cloudina, interpreted as the remains of a shelly metazoan, are also known from limestones in the Nama Group. It is possible, therefore, that skeletalization in metaphytes and animals arose nearly simultaneously near the end of the Proterozoic Eon.

NASA Discipline Number 52-30↗
NASA NTRS2010

Maintaining a Local Data Integration System in Support of Weather Forecast Operations

Since 2000, both the National Weather Service in Melbourne, FL (NWS MLB) and the Spaceflight Meteorology Group (SMG) have used a local data integration system (LDIS) as part of their forecast and warning operations. Each has benefited from 3-dimensional analyses that are delivered to forecasters every 15 minutes across the peninsula of Florida. The intent is to generate products that enhance short-range weather forecasts issued in support of NWS MLB and SMG operational requirements within East Central Florida. The current LDIS uses the Advanced Regional Prediction System (ARPS) Data Analysis System (ADAS) package as its core, which integrates a wide variety of national, regional, and local observational data sets. It assimilates all available real-time data within its domain and is run at a finer spatial and temporal resolution than current national- or regional-scale analysis packages. As such, it provides local forecasters with a more comprehensive and complete understanding of evolving fine-scale weather features. Recent efforts have been undertaken to update the LDIS through the formal tasking process of NASA's Applied Meteorology Unit. The goals include upgrading LDIS with the latest version of ADAS, incorporating new sources of observational data, and making adjustments to shell scripts written to govern the system. A series of scripts run a complete modeling system consisting of the preprocessing step, the main model integration, and the post-processing step. The preprocessing step prepares the terrain, surface characteristics data sets, and the objective analysis for model initialization. Data ingested through ADAS include (but are not limited to) Level II Weather Surveillance Radar- 1988 Doppler (WSR-88D) data from six Florida radars, Geostationary Operational Environmental Satellites (GOES) visible and infrared satellite imagery, surface and upper air observations throughout Florida from NOAA's Earth System Research Laboratory/Global Systems Division/Meteorological Assimilation Data Ingest System (MADIS), as well as the Kennedy Space Center ICape Canaveral Air Force Station wind tower network. The scripts provide NWS MLB and SMG with several options for setting a desirable runtime configuration of the LDIS to account for adjustments in grid spacing, domain location, choice of observational data sources, and selection of background model fields, among others. The utility of an improved LDIS will be demonstrated through postanalysis warm and cool season case studies that compare high-resolution model output with and without the ADAS analyses. Operationally, these upgrades will result in more accurate depictions of the current local environment to help with short-range weather forecasting applications, while also offering an improved initialization for local versions of the Weather Research and Forecasting model.

Watson, Leela R.↗
NASA NTRS2005

Optical and X-ray studies of chromospherically active stars: FR Cancri, HD 95559 and LO Pegasi

We present a multiwavelength study of three chromospherically active stars, namely FR Cnc (= BD +16 degrees 1753), HD 95559 and LO Peg (=BD +22 degrees 4409), including newly obtained optical photometry, (for FR Cnc) low-resolution optical spectroscopy, as well as archival IR and X-ray observations. The BVR photometry carried out during the years 2001 - 2004 has found significant photometric variability to be present in all three stars. For FR Cnc, a photometric period 0.826685 +/- 0.000034 d has been established. The strong variation in the phase and amplitude of the FR Cnc light curves when folded on this period implies the presence of evolving and migrating spots or spot groups on its surface. Two independent spots with migration periods of 0.97 and 0.93 years respectively are inferred. The photometry of HD 95559 suggests the formation of a spot (group) during the interval of our observations. We infer the existence of two independent spots or groups in the photosphere of LO Peg, one of which has a migration period of 1.12 years. The optical spectroscopy of FR Cnc carried out during 2002-2003, reveals the presence of strong and variable Ca I1 H and K, H(sub beta) and H(sub alpha) emission features indicative of high level of chromospheric activity. The value of 5.3 for the ratio of the excess emission in H(sub alpha) to H(sub beta), EH(sub alpha)/EH(sub beta), suggests that the chromospheric emission may arise from an extended off-limb region. We have searched for the presence of color excesses in the near-IR JHK bands of these stars using 2MASS data, but none of them appear to have any significant color excess. We have also analyzed archival X-ray observations of HD 95559 and LO Peg carried out by with the ROSAT observatory. The best fit models to their X-ray spectra imply the presence of two coronal plasma components of differing temperatures and with sub-solar metal abundances. The inferred emission measures and temperatures of these systems are similar to those found for other active dwarf stars. The kinematics of FR Cnc suggest that it is a very young (35 - 55 Myrs) main-sequence star and a possible member of the IC 2391 supercluster. LO Peg also has young disk-type kinematics and has been previously suggested to be a member of the 100 Mys old Local Association (Pleiades Moving Group). The kinematics of HD 95559 indicate it is a possible member of the 600 Myrs old Hyades supercluster.

Pandey, J. C.↗
DOE OSTI2022

Multivalent optical cycling centers: towards control of polyatomics with multi-electron degrees of freedom

Optical control of polyatomic molecules promises new opportunities in precision metrology and fundamental chemistry, as well as quantum information and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling photons via excitation of a single electron localized to an alkaline earth (group 2)-like metal center. In this paper, we consider pathways towards optical cycling in polyatomic molecules with multi-electron degrees of freedom, which arise from two or more cycling electrons localized to p-block post-transition metal and metalloid (group 13, 14, and 15) centers. Here, we characterize the electronic structure and rovibrational branching of several prototypical candidates using ab initio quantum chemical methods. Despite increased internal complexity and challenging design parameters, we find several molecules possessing quasi-closed photon cycling schemes with highly diagonal, visible and near-infrared transitions. Furthermore, we identify new heuristics for engineering optically controllable and laser-coolable polyatomic molecules with multi-electron cycling centers. Our results help elucidate the interplay between hybridization, repulsion, and ionicity in optically active species and provide new directions for using polyatomic molecules with complex electronic structure as a resource for quantum science and measurement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Convective instabilities of electromagnetic ion cyclotron waves in the outer magnetosphere

The path-integrated linear growth of electromagnetic ion cyclotron waves in the outer (L is greater than or equal to 7) magnetosphere is investigated using a realistic thermal plasma distribution with an additional anisotropic energetic ring current H(+) to provide free energy for instability. The results provide a realistic simulation of the recent Active Magneto- spheric Particle Tracer Explorers (AMPTE) observations. For conditions typical of the dayside magnetosphere, high plasma beta effects reduce the group velocity and significantly increase the spatial growth rates for left-handed polarized instabilities just below the helium gyrofrequency Omega(sub He(+)), and on the guided mode above Omega(sub He(+)) but below the cross over frequency omega(sub cr). Relatively high densities, typical of the afternoon local time sector, favor these low group velocity effects for predominantly field-aligned waves. Lower densities, typical of those found in the early morning local time sector, increase the group velocity but allow strong convective instabilities at high normalized frequencies well above Omega(sub He(+)). These waves are reflected in the magnetosphere and can exist for several equatorial transits without significant damping. They are left-handed polarized only on the first equatorial crossing and become linearly polarized for the remainder of the ray path. Consequently, these waves should be observed with basically linear polarization at all frequencies and all latitudes in the early morning local time sector. Wave growth below Omega(sub He(+)) is severely limited owing to the narrow bandwidth for instability and the small resonant path lengths. In the afternoon sector, where plasma densities can exceed 10(exp 7)/cu m, intense convective amplification is possible both above and below Omega(sub He(+)). Waves below Omega(sub He(+)) are not subject to reflection when the O(+) concentration is small and therefore should be observed with left-handed polarization near the equator and essentially linear polarization at higher latitudes. Since the He(+) concentration is usually large in the afternoon sector, guided mode waves above Omega(sub He(+)) reflect to form a background distribution with basically linear polarization. We suggest that the strong left-handed polarized emissions observed by AMPTE in the afternoon sector near the equator are probably due to strongly growing low group velocity waves at frequencies just below Omega(sub He(+)), and on the guided mode above Omega(sub He(+)).

Horne, Richard B.↗
DOE OSTI2020

Reaction mechanisms of a cyclic ether intermediate: Ethyloxirane

Oxiranes are a class of cyclic ethers formed in abundance during low-temperature combustion of hydrocarbons and biofuels, either via chain-propagating steps that occur from unimolecular decomposition of β -hydroperoxyalkyl radicals ( β -˙QOOH) or from reactions of HOÓ with alkenes. Ethyloxirane is one of four alkyl-substituted cyclic ether isomers produced as an intermediate from n -butane oxidation. While rate coefficients for β -˙QOOH → ethyloxirane + ÓH are reported extensively, subsequent reaction mechanisms of the cyclic ether are not. As a result, chemical kinetics mechanisms commonly adopt simplified chemistry to describe ethyloxirane consumption by convoluting several elementary reactions into a single step, which may introduce mechanism truncation error—uncertainty derived from missing or incomplete chemistry. Here we provide fundamental insight on reaction mechanisms of ethyloxirane in support of ongoing efforts to minimize mechanism truncation error. Reaction mechanisms are inferred from the detection of products during chlorine atom-initiated oxidation experiments using multiplexed photoionization mass spectrometry conducted at 10 Torr and temperatures of 650 K and 800 K. To complement the experiments, calculations of stationary point energies were conducted using the ccCA-PS3 composite method on ˙R + O 2 potential energy surfaces for the four ethyloxiranyl radical isomers, which produced barrier heights for 24 reaction pathways. In addition to products from ˙QOOH → cyclic ether + ÓH and ˙R + O 2 → conjugate alkene + HOÓ, both of which were significant pathways and are prototypical to alkane oxidation, other species were identified from ring-opening of both ethyloxiranyl and ˙QOOH radicals. The latter occurs when the unpaired electron is localized on the ether group, causing the initial ˙QOOH structure to ring-open and form a resonance-stabilized ketohydroperoxide-type radical. The present work provides the first analysis of ethyloxirane oxidation chemistry, which reveals that consumption pathways are complex and may require an expansion of submechanisms to increase the fidelity of chemical kinetics mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗