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NASA NTRSDate not supplied

Mixed-Domain Charge Transport in S-Se Alloys as a Li-S Battery Cathode Material

Lithium-sulfur batteries are emerging candidate systems for the next-generation long-range electric aircraft application owing to their potential to deliver high energy density per weight. Their cathodes are to be made primarily with sulfur, but sulfur by itself has much too low electron conductivity to serve as a useful cathode. An idea that has been suggested to overcome this bottleneck is to alloy sulfur with selenium in the hope that electron mobility, which is thought to improve charge transport at some expense of increased weight and reduced energy density. However, understanding of these alloy structures and their transport mechanism is insufficient, and electron mobility at varying degrees of selenium content is not well charted, which are critical for determining the optimum selenium content and testing whether this strategy is generally feasible. The difficulty of computationally characterizing these alloy systems is rooted in the structure. The structures of both sulfur and selenium exhibit eight-atom rings that pack together in various orientations to form their respective crystals. For one, because these crystals (and presumably their alloys as well) feature multiple polymorphs such that their structural coherence is rather unclear. Secondly, these are also relatively large systems (32 atoms per cell) with low-symmetry, which complicate computation both in terms of accuracy and efficiency. Thirdly, such semi-molecular, semi-crystalline structures lead to a combination of band-transport characteristics and hopping-transport characteristics, each of which is a domain with its own physics and set of computational, theoretical challenges. In addition, there is a general dearth of experimental transport data for sulfur-selenium alloys. In this study, we make a comprehensive attempt to tackle this problem using a wide array of first-principles methods. We generate special quasirandom structures to simulate alloy structures, and compute their first-principles Raman spectra for comparison with experimental data to ensure their structural soundness. We then proceed to use recently developed, state-of-the-art tool (AMSET) in order to efficiently compute electronic mobilities under band transport of pure sulfur, pure selenium, as well as their alloys of various compositions at a reasonable accuracy. We then sample numerous dimer configurations of nearest-neighbor eight-atom-ring-pairs and compute electronic hopping rates between them, which yields hopping mobility. A combination of these efforts lead to a general mapping of electron transport behaviors throughout the alloy range. Preliminary results show that introduction of selenium into sulfur initially damages electron mobility due to disorder but eventually improves it beyond that of pure sulfur with additional selenium content, ultimately peaking at the pure-selenium limit. Band transport dominates for holes in sulfur and electrons in selenium, but in all other cases, hopping transport is dominant. Ongoing efforts include determination of charge concentration and conductivity, as well as performing multiphysics modeling to determine the optimum selenium content for best tradeoff between conductivity and energy density for aircraft range.

Junsoo Park↗
NASA NTRS2006

Use of High-resolution WRF Simulations to Forecast Lightning Threat

Recent observational studies have confirmed the existence of a robust statistical relationship between lightning flash rates and the amount of large precipitating ice hydrometeors in storms. This relationship is exploited, in conjunction with the capabilities of recent forecast models such as WRF, to forecast the threat of lightning from convective storms using the output fields from the model forecasts. The simulated vertical flux of graupel at -15C is used in this study as a proxy for charge separation processes and their associated lightning risk. Six-h simulations are conducted for a number of case studies for which three-dimensional lightning validation data from the North Alabama Lightning Mapping Array are available. Experiments indicate that initialization of the WRF model on a 2 km grid using Eta boundary conditions, Doppler radar radial velocity and reflectivity fields, and METAR and ACARS data yield the most realistic simulations. An array of subjective and objective statistical metrics are employed to document the utility of the WRF forecasts. The simulation results are also compared to other more traditional means of forecasting convective storms, such as those based on inspection of the convective available potential energy field.

McCaul, William E.↗
NASA NTRS1988

Cosmic-ray transport in accelerating flows

The quasi-linear transport equation of energetic charged particles is derived, including scattering by Alfven waves propagating parallel and antiparallel to a uniform magnetic field, losses by synchrotron radiation, and acceleration of the cold background fluid supporting the waves. As in the comoving frame equations of radiative transfer, scattering, and loss terms are evaluated in the frame in which the fluid is locally at rest. The diffusion approximation is applied to the resulting equation, yielding a transport equation for the isotropic part of the distribution function and a first-order approximation to the anisotropy. The conditions under which this approximation may be applied are discussed. In the nonrelativistic regime, the standard equation of the diffusion approximation is recovered. As contributions previously investigated, new effects appear from the spatial and temporal variations of the fluid velocity as well as the synchrotron radiation terms. These are discussed in detail.

Kirk, John G.↗
NASA NTRS1990

Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.

Borsa, F.↗
NASA NTRS1991

Effect of Polymer Electrode Morphology on Performance of a Lithium/Polypyrrole Battery

A variety of conducting polymer batteries were described in the recent literature. In this work, a Li/Polypyrrole secondary battery is described. The effect of controlling the morphology of the polymer on enhancement of counterion diffusion in the polymer phase is explored. A method of preparing conducting polymers was developed which yields high surface area per unit volume of electrode material. A porous membrane is used as a template in which to electrochemically polymerize pyrrole, then the membrane is dissolved, leaving the polymer in a fibrillar form. Conventionally, the polymer is electrochemically polymerized as a dense polymer film on a smooth Pt disk electrode. Previous work has shown that when the polymer is electrochemically polymerized in fribrillar form, charge transport rates are faster and charge capacities are greater than for dense, conventionally grown films containing the same amount of polymer. The purpose is to expand previous work by further investigating the possibilities of the optimization of transport rates in polypyrrole films by controlling the morphology of the films. The utility of fibrillar polypyrrole as a cathode material in a lithium/polymer secondary battery is then assessed. The performance of the fibrillar battery is compared to the performance of an analogous battery which employed a conventionally grown polypyrrole film. The study includes a comparison of cyclic voltammetry, shape of charge/discharge curves, discharge time and voltage, cycle life, coulombic efficiencies, charge capacities, energy densities, and energy efficiencies.

Nicholson, Marjorie Anne↗
NASA NTRS1991

Laboratory simulation of the surface of Halley's Comet

In the past year we have developed a model for the dissociation of icy grains in comets. In general, this model does not predict the radical yield that is observed in the jets of comets. To reproduce these yields, the concentration of the radical's precursors will have to be too high to be consistent with the abundance that we expect in comets. We have also constructed a theoretical model for the formation of ions on icy cometary grains. That model shows that only a small number of the cometary ions could be produced as ions in icy grains if the particle has only positively charged ions. If it contains both positive and negative ions then it could have a higher concentration of ions without violating charge neutrality. When such a particle evaporates, it can release ions with both charges into the gas phase. These ions could produce radicals via dissociative recombination with electrons if they are positive ions or by photoattachment of electrons if they are negative electrons. Finally, an avalanche process involving the acceleration of electrons towards charged particles is evaluated. It is shown that this will not lead directly to gas phase ions, but it might lead to additional ionization and dissociation on the grain.

Jackson, William M.↗
NASA NTRS1994

UBV stellar photometry of the 30 Doradus region of the large Magellanic Cloud with the Hubble Space Telescope

We report on Planetary Camera observations of the central region of 30 Doradus in the Large Magellanic Cloud (LMC). These images of 30 Doradus are the first `deep' Hubble Space Telescope (HST) exposures that have appropriate photometric calibration. The B band (F439W) image, which shows R136a at the center of the PC6 charge coupled device (CCD) chip, reveals over 200 stars within 3 sec of the center of R13a, and over 800 stars in a 35 sec x 35 sec area. We used Malumuth et al.'s (1991) Point Spread Function (PSF)-fitting method to measure the magnitudes of all stars on the PC6 chip. These new B magnitudes, along with U and V magnitudes from archival PC images, yield a luminosity function, mass density profile, and initial mass function of the 30 Doradus ionizing cluster. The mass distribution is well fit by a King model with a core radius, R(sub c) = 0.96 sec (0.24 pc), a tidal radius, R(sub t) = 110 sec (28 pc), and a total mass, Mass = 16,800 solar mass. Both the luminosity function and initial mass function show evidence for mass segregation, in the sense that the central region has a higher fraction of massive stars than the outer regions. This is the first observational evidence for mass segregation in a very young cluster (age approximately 3 million years). The observations admit the hypothesis that the mass segregation occurred in the process of star formation and/or that the mass segregation is the result of dynamical evolution.

Malumuth, Eliot M.↗
NASA NTRS1983

Saturn's E, G, and F rings - Modulated by the plasma sheet?

Saturn's broad E ring, the narrow G ring, and the structured and apparently time-variable F ring(s) contain many micron and submicron-sized particles, which make up the 'visible' component. These rings (or ring systems) are in direct contact with magnetospheric plasma. Fluctuations in the plasma density and/or mean energy, due to magnetospheric and solar wind processes, may induce stochastic charge variations on the dust particles, which in turn lead to an orbit perturbation and spatial diffusion. In addition, Coulomb drag forces may be important, in particular for the E ring. The possibility that electromagnetic effects may play a role in determining the F ring structure and its possible time variations is critically examined. Sputtering of micron-sized dust particles in the E ring by magnetospheric ions yields lifetimes of 100 to 10,000 years. This effect as well as the plasma induced transport processes require an active source for the E ring, probably Enceladus.

Morfill, G. E.↗
NASA NTRS2010

High Resolution, Non-Dispersive X-Ray Calorimeter Spectrometers on EBITs and Orbiting Observatories

X-ray spectroscopy is the primary tool for performing atomic physics with Electron beam ion trap (EBITs). X-ray instruments have generally fallen into two general categories, 1) dispersive instruments with very high spectral resolving powers but limited spectral range, limited count rates, and require an entrance slit, generally, for EBITs, defined by the electron beam itself, and 2) non-dispersive solid-state detectors with much lower spectral resolving powers but that have a broad dynamic range, high count rate ability and do not require a slit. Both of these approaches have compromises that limit the type and efficiency of measurements that can be performed. In 1984 NASA initiated a program to produce a non-dispersive instrument with high spectral resolving power for x-ray astrophysics based on the cryogenic x-ray calorimeter. This program produced the XRS non-dispersive spectrometers on the Astro-E, Astro-E2 (Suzaku) orbiting observatories, the SXS instrument on the Astro-H observatory, and the planned XMS instrument on the International X-ray Observatory. Complimenting these spaceflight programs, a permanent high-resolution x-ray calorimeter spectrometer, the XRS/EBIT, was installed on the LLNL EBIT in 2000. This unique instrument was upgraded to a spectral resolving power of 1000 at 6 keV in 2003 and replaced by a nearly autonomous production-class spectrometer, the EBIT Calorimeter Spectrometer (ECS), in 2007. The ECS spectrometer has a simultaneous bandpass from 0.07 to over 100 keV with a spectral resolving power of 1300 at 6 keV with unit quantum efficiency, and 1900 at 60 keV with a quantum efficiency of 30%. X-ray calorimeters are event based, single photon spectrometers with event time tagging to better than 10 us. We are currently developing a follow-on instrument based on a newer generation of x-ray calorimeters with a spectral resolving power of 3000 at 6 keV, and improved timing and measurement cadence. The unique capabilities of the x-ray calorimeter spectrometer, coupled with higher spectral resolution dispersive spectrometers to resolve line blends, has enabled many science investigations, to date mostly in our x-ray laboratory astrophysics program. These include measurements of absolute cross sections for Land K shell emission from Fe and Ni, charge exchange measurements in many astrophysically abundant elements, lifetime measurements, line ratios, and wavelength measurements. In addition, we have performed many additional measurements in nuclear physics, and in support of diagnostics for laser fusion, for example. In this presentation we will give a detailed overview of x-ray calorimeter instruments in general and in our EBIT laboratory astrophysics program in particular. We will also discuss the science yield of our measurements at EBIT over the last decade) prospects for future science enabled by the current generation of spectrometers and that will be expanded in the near future by the next generation of spectrometers starting in 2611.

Porter, Frederick S.↗
NASA NTRS2005

Improved Charge-Transfer Fluorescent Dyes

Improved charge-transfer fluorescent dyes have been developed for use as molecular probes. These dyes are based on benzofuran nuclei with attached phenyl groups substituted with, variously, electron donors, electron acceptors, or combinations of donors and acceptors. Optionally, these dyes could be incorporated as parts of polymer backbones or as pendant groups or attached to certain surfaces via self-assembly-based methods. These dyes exhibit high fluorescence quantum yields -- ranging from 0.2 to 0.98, depending upon solvents and chemical structures. The wavelengths, quantum yields, intensities, and lifetimes of the fluorescence emitted by these dyes vary with (and, hence, can be used as indicators of) the polarities of solvents in which they are dissolved: In solvents of increasing polarity, fluorescence spectra shift to longer wavelengths, fluorescence quantum yields decrease, and fluorescence lifetimes increase. The wavelengths, quantum yields, intensities, and lifetimes are also expected to be sensitive to viscosities and/or glass-transition temperatures. Some chemical species -- especially amines, amino acids, and metal ions -- quench the fluorescence of these dyes, with consequent reductions in intensities, quantum yields, and lifetimes. As a result, the dyes can be used to detect these species. Another useful characteristic of these dyes is a capability for both two-photon and one-photon absorption. Typically, these dyes absorb single photons in the ultraviolet region of the spectrum (wavelengths < 400 nm) and emit photons in the long-wavelength ultraviolet, visible, and, when dissolved in some solvents, near-infrared regions. In addition, these dyes can be excited by two-photon absorption at near-infrared wavelengths (600 to 800 nm) to produce fluorescence spectra identical to those obtained in response to excitation by single photons at half the corresponding wavelengths (300 to 400 nm). While many prior fluorescent dyes exhibit high quantum yields, solvent-polarity- dependent fluorescence behavior, susceptibility to quenching by certain chemical species, and/or two-photon fluorescence, none of them has the combination of all of these attributes. Because the present dyes do have all of these attributes, they have potential utility as molecular probes in a variety of applications. Examples include (1) monitoring curing and deterioration of polymers; (2) monitoring protein expression; (3) high-throughput screening of drugs; (4) monitoring such chemical species as glucose, amines, amino acids, and metal ions; and (5) photodynamic therapy of cancers and other diseases.

Meador, Michael↗
NASA NTRS1991

Organic synthesis in the outer Solar System: Recent laboratory simulations for Titan, the Jovian planets, Triton and comets

We tabulate the most abundant gases and their radiation yields, for two experimental pressures: 0.24 mb, more relevant to upper atmosphere excitation, and 17 mb, more relevant to tropospheric, cosmic ray excitation. The yields computed in the 0.24 mb experiment combined with measured electronic fluxes and a simple, eddy diffusion model of Titan's atmosphere predict abundances of detected molecules in agreement with those found by Voyager and for heavier products, in somewhat better agreement with observation than photochemical absolute reaction rate kinetics models. All Voyager organics are accounted for and no detectable products are found that Voyager did not detect. A striking increase of products with multiple bonds is found with decreasing pressure. Hydrocarbon abundances decline slowly with increasing carbon number. Additionally, we list preliminary estimates for the yield of the heteropolymer, which seems to be produced in a quantity comparable (in moles of C+N consumed) to the total amount of gaseous product. The production rate required to sustain Titan's haze against sedimentation also indicates yields of this order. As can be seen from the table, over 10(exp 9) years substantial amounts of these products can accumulate on the surface -- ranging from cm thickness for the (C+N equals 4) species to a meter or more for HCN and C2H2; we also expect a meter or more of tholins. Similar analyses have been or are being done for the Jovian planets and Triton. Charged particle irradiation of hydrocarbon clathrates or mixed hydrocarbon/water ices produces a range of organic products, reddening and darkening of the ices and characteristic infrared spectra. From such spectra, the predicted emission by fine particles in cometary comae well-matches the observed 3.4 micron emission spectra of Comet Halley and other recent comets. Heliocentric evolution of organic emission features in comets is predicted. Organic products of such ice irradiation may account for colors and albedos on some of the satellites in the outer solar system, especially Triton and Pluto, where solid methane is known to exist.

Sagan, C.↗
NASA NTRS1979

The isotopic and elemental abundances of neon nuclei accelerated in solar flares

The relative isotopic abundances of Ne-20 and Ne-22 in seven solar flares were determined from measurements of the satellite IMP 8, yielding the ratio Ne-20/Ne-22 = 7.7 (+2.3, -1.5) for solar chromospheric matter. This value is in agreement with the ratio for the component neon-A (the 'primordial' component) found in carbonaceous chondrites. An elemental abundance ratio Ne/O = 0.14 + or - 0.01 also has been obtained which agrees closely with earlier reported measurements. It is shown that the effects of preferential acceleration relative to solar-system abundances with increasing charge number observed for some solar flares - though biasing the elemental ratio - does not appear to influence the neon isotopic abundances.

Dietrich, W. F.↗
NASA NTRS1981

Jupiter - Structure and composition of the upper atmosphere

The Voyager ultraviolet stellar occultation data yield a temperature of 200 + or - 50 K at about 400 km, and the solar occultation data give 1100 + or - 200 K at 1450 km above the ammonia cloud tops. The temperature gradient between 400 and 1450 km is approximately 1 K/km. The mesospheric temperature structure gives no strong indication of an earth-like mesopause. The heating of the upper atmosphere appears to result from a combination of magnetospheric charged particle precipitation, ion drag, inertia gravity waves, and solar EUV. The volume mixing ratios of CH4 and C2H6 at 325 km are measured to be 2.5(+3, -2) x 10 to the -5th and 2.5(+2.0, -1.5) x 10 to the -6th, respectively, which are lower than in the stratosphere. The C2H2 volume mixing ratio is not greater than 5 x 10 to the -6th at 300 km. The homopause value of the equatorial eddy diffusion coefficient is found to be 1-2 x 10 to the -6th sq cm/s.

Atreya, S. K.↗
NASA NTRS1985

A high energy Space Station (HESS) array for studying extremely energetic cosmic rays

The scientific aims and design concept of a High-Energy Space Station (HESS) cosmic-ray detector array are discussed. The current state of knowledge on cosmic-ray acceleration and high-energy interactions is briefly reviewed, and the need for observations yielding elemental composition and spectra in the 10-10,000-TeV/nucleon range is demonstrated. It is predicted that 2 yr of observations with a space-borne detector of geometry factor 30 sq m sr would provide adequate data to determine the acceleration mechanism (by comparing the energy level at which the spectra of He nuclei and protons break). A modular HESS array comprising W/scintillator/PM-tube calorimeter modules and Cerenkov charge-sensitive detector modules and weighing about 30 tonnes is described. The array could be assembled on orbit after transport in the Space Shuttle cargo bay, and data could be taken as soon as one or two layers of modules had been attached to the mounting-frame/support-electronics unit.

Ormes, J. F.↗
NASA NTRS1992

Fluence-related risk coefficients using the Harderian gland data as an example

A new concept is introduced for assessing the risk of radiation-induced cancer to space travelers: a fluence-related risk coefficient F (called the risk cross section), which is the risk of a cancer per unit particle fluence for a given particle type. Fs are functions of the LET of the particles in the radiation field and, when integrated over fluence-LET spectra and summed, yield the risk of the endpoint of interest. As an example, tumor prevalence data in mice are used to estimate the probability of the induction of mouse Harderian-gland tumor per year on an extramagnetospheric mission inside an idealized shielding configuration of a spherical 1 g/sq cm hick aluminum shell. Results indicate a yearly tumor prevalence of 0.06 at solar minimum conditions, with 60 percent of this arising from charge components with Z between 10 and 28, and two-thirds of the contribution arising from LET components between 10 and 200 keV/micron.

Curtis, S. B.↗
NASA NTRS2001

The ATIC Experiment: First Balloon Flight

The Advanced Thin Ionization Calorimeter (ATIC) Balloon Experiment had its maiden, test, flight from McMurdo, Antarctica 28/12/00 to 13/01/01, local time, recording over 360 hours of data. ATIC was designed to measure the composition and energy spectra of cosmic rays from approximately 10 GeV to near 100 TeV utilizing a Si-matrix detector to determine charge in conjunction with a scintillator hodoscope which measures charge and trajectory. Cosmic rays that interact in a Carbon target have their energy determined from the shower that develops within a fully active calorimeter composed of a stack of scintillating BGO crystals. ATIC's geometry factor is about 0.25 m**2-sr. During line-of-sight operations much of the datastream was transmitted to the ground. For most of the flight, the data was recorded on-board, yielding 45 GB of flight data for analysis. The payload construction, operations and in-flight performance are described, along with preliminary results from the on-going analysis.

Wefel, J. P.↗
NASA NTRS2004

Comparison of the Proton-Induced Dark Current and Charge Transfer Efficiency Responses of N- and P-Channel CCDs

The proton-induced CTE behavior for the Lawrence Berkeley National Laboratory (LBNL) p-CCD (being developed for the Supernovae Acceleration Project (SNAP) and Hubble Space Telescope (HST) Wide Field Camera 3 (WFC3) n-CCDs were compared using 55Fe, EPER and FPR techniques. CTE performance of the p-CCD is about an order of magnitude better after a 63 MeV fluence of 2.5 x 10(sup 9)/sq cm, which is equivalent to 2.5 years in the shielded HST orbit. Notched n- and p-CCDs yielded factor of two improvement in CTE performance as compared to their un-notched versions. The introduction rate of hot pixels was greater in p-CCD as compared to n-CCD, and also greater in notched than un-notched devices.

Marshall, Cheryl↗
NASA NTRS1999

In-Situ Spectrometry of Neutrons

High energy charged particles of extra-galactic, galactic and solar origin collide with spacecraft structures in Earth orbit outside the atmosphere and in interplanetary travel beyond the Earth's magnetosphere. These primaries create a number of secondary particles inside the structures that can produce a significant ionizing radiation environment. This radiation is a threat to long term inhabitants or travelers for space missions and produces an increased risk of cancer and DNA damage. The primary high energy cosmic rays and trapped protons collide with common spacecraft materials such as aluminum and silicon and create secondary particles inside structures that are mostly protons and neutrons. Charged protons are readily detected and instruments are already in existence for this task. Neutrons are electrically neutral and therefore much more difficult to measure and detect. These neutrons are reported to contribute 30-60% of the dose inside space structures and cannot be ignored. Currently there is no compact, portable and real time neutron detector instrumentation available for use inside spacecraft or on planetary surfaces where astronauts will live and work. We propose to design and build a portable, low power and robust neutron spectrometer that will measure the neutron spectrum from 10 KeV to 500 MeV with at least 10% energy resolution in the various energy intervals. This instrument will monitor the existing neutron environment both inside spacecraft structures and on planetary surfaces to determine the safest living areas, warn of high fluxes associated with solar storms and assist the NSBRI Radiation Effects Team in making an accurate assessment of increased cancer risk and DNA damage to astronauts. The instrument uses a highly efficient proportional counter Helium 3 tube at the lowest energy intervals where .equivalent damage factors for tissue are the highest (10 KeV-2 MeV). The Helium 3 tube may be shielded with a cadmium absorber to eliminate the much less damaging, but more prevalent, thermal and epithermal neutrons and to make the structure of the spectrum more accurate in the 20 KeV-2 MeV range; or a pair of tubes, one shielded and one unshielded, can be combined so that the difference in their counts yields the thermal neutron contribution. The spectrometer also uses a 5mm lithium drifted bulk silicon solid state detector in the medium energy range of 2-20 Mev and two standard silicon surface barrier detectors separated by tens of millimeters behind a I cm thick polyethylene moderator in a stack or telescope arrangement for the high energy neutrons (>20 MeV). In the medium and high energy regions equivalent damage factors are lower but hits from one or a small number of neutrons may prove to be important. The silicon detector systems for medium and high energy neutrons will discriminate against charged particles by using a plastic cesium iodide scintillator of an appropriate geometry monitored by a silicon PIN photodiode.

Maurer, Richard H.↗