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At least 91 records · Page 5

Progress in Predicting Ionic Cocrystal Formation: The Case of Ammonium Nitrate

In contrast to the mature predictive frameworks applied to neutral cocrystals, ionic cocrystals, those including an ion pair, are difficult to design. Furthermore, they are generally excluded categorically from studies which correlate specific molecular properties to cocrystal formation, leaving the prospective ionic cocrystal engineer with few clear avenues to success. Herein ammonium nitrate, an energetic oxidizing salt, is targeted for cocrystallization in a potential coformer group selected based on likely interactions with the nitrate ion as revealed in the Cambridge Structural Database; six novel ionic cocrystals were discovered. Molecular descriptors previously identified as being related to neutral cocrystal formation were examined across the screening group but showed no relationship with ionic cocrystal formation. High packing coefficient is shown to be a constant among the successful coformers in the set and is utilized to directly target two more successful coformers, bypassing the need for a large screening group.

Andrew J. Bennett↗

Rhenium-osmium-isotope constraints on the age of iron meteorites

Rhenium and osmium concentrations and the osmium isotopic compositions of iron meteorites were determined by negative thermal ionization mass spectrometry. Data for the IIA iron meteorites define an isochron with an uncertainty of approximately +/-31 million years for meteorites about 4500 million years old. Although an absolute rhenium-osmium closure age for this iron group cannot be as precisely constrained because of uncertainty in the decay constant of Re-187, an age of 4460 million years ago is the minimum permitted by combined uncertainties. These age constraints imply that the parent body of the IIAB magmatic irons melted and subsequently cooled within 100 million years after the formation of the oldest portions of chondrites. Other iron meteorites plot above the IIA isochron, indicating that the planetary bodies represented by these iron groups may have cooled significantly later than the parent body of the IIA irons.

Horan, M. F.↗

The relation of motion sickness to the spatial-temporal properties of velocity storage

Tilting the head in roll to or from the upright while rotating at a constant velocity (roll while rotating, RWR) alters the position of the semicircular canals relative to the axis of rotation. This produces vertical and horizontal nystagmus, disorientation, vertigo, and nausea. With recurrent exposure, subjects habituate and can make more head movements before experiencing overpowering motion sickness. We questioned whether promethazine lessened the vertigo or delayed the habituation, whether habituation of the vertigo was related to the central vestibular time constant, i.e., to the time constant of velocity storage, and whether the severity of the motion sickness was related to deviation of the axis of eye velocity from gravity. Sixteen subjects received promethazine and placebo in a double-blind, crossover study in two consecutive 4-day test series 1 month apart, termed series I and II. Horizontal and vertical eye movements were recorded with video-oculography while subjects performed roll head movements of approx. 45 degrees over 2 s to and from the upright position while being rotated at 138 degrees /s around a vertical axis. Motion sickness was scaled from 1 (no sickness) to an endpoint of 20, at which time the subject was too sick to continue or was about to vomit. Habituation was determined by the number of head movements that subjects made before reaching the maximum motion sickness score of 20. Head movements increased steadily in each session with repeated testing, and there was no difference between the number of head movements made by the promethazine and placebo groups. Horizontal and vertical angular vestibulo-ocular reflex (aVOR) time constants declined in each test, with the declines being closely correlated to the increase in the number of head movements. The strength of vertiginous sensation was associated with the amount of deviation of the axis of eye velocity from gravity; the larger the deviation of the eye velocity axis from gravity, the more severe the motion sickness. Thus, promethazine neither reduced the nausea associated with RWR, nor retarded or hastened habituation. The inverse relationship between the aVOR time constants and number of head movements to motion sickness, and the association of the severity of motion sickness with the extent, strength, and time of deviation of eye velocity from gravity supports the postulate that the spatiotemporal properties of velocity storage, which are processed between the nodulus and uvula of the vestibulocerebellum and the vestibular nuclei, are likely to represent the source of the conflict responsible for producing motion sickness.

NASA Discipline Neuroscience↗

An Accelerated Life Testing Dataset for Lithium-Ion Batteries With Constant and Variable Loading Conditions

The dataset repository is organized into three main folders, each containing one group of life cycled battery packs. Within each folder individual battery packs own their dedicated csv file for continuous data logging, which are named with their respective battery pack number. The folders are named: - regular_alt_batteries: Containing one csv file for each battery pack cycled at the same load level or load range throughout lifetime - recommissioned_batteries: Containing one csv file for each battery pack cycled at different load levels at varying life stages - second_life_batteries: Containing one csv file for each second life battery pack cycled at constant current througout the second life

Li-ion Battery↗

On the passage of radiation through inhomogeneous, moving media. VIII - Ray paths and fluxes in a plane differentially sheared medium

We give a detailed discussion of the group-velocity ray paths in a plane differentially sheared medium with constant index of refraction as measured by a local inertial observer. For a given velocity profile the numerical ray paths are presented graphically for several representative cases. Assuming that the medium has a volume emissivity and that a given flux of radiation is incident at the base of the medium, the flux of radiation leaving the slab as a function of exit angle is calculated and presented in the same representative cases. Peaks and discontinuities in the flux generally appear at given exit angles, but their locations and the half-widths of the peaks depend sensitively on the index of refraction.

Lee, M. A.↗

Computer-Aided Modeling and Analysis of Power Processing Systems (CAMAPPS). Phase 1: Users handbook

The EASY5 macro component models developed for the spacecraft power system simulation are described. A brief explanation about how to use the macro components with the EASY5 Standard Components to build a specific system is given through an example. The macro components are ordered according to the following functional group: converter power stage models, compensator models, current-feedback models, constant frequency control models, load models, solar array models, and shunt regulator models. Major equations, a circuit model, and a program listing are provided for each macro component.

Kim, S.↗

Microwave emission above steady and moving sunspots

Two-dimensional maps of radio brightness temperature and polarization, computed assuming thermal emission with free-free and gyroresonance absorption, are compared with observations of active region 2502, performed at Westerbork at lambda = 6.16 cm during a period of 3 days in June 1980. The computation is done assuming a homogeneous model in the whole field of view and a force-free extrapolation of the photospheric magnetic field observed at MSFC with a resolution of 2.34 arcsec. The mean results are the following: (1) a very good agreement is found above the large leading sunspot of the group, assuming a potential extrapolation of the magnetic field and a constant conductive flux in the transition region ranging from .2 x 10 to the 6th to 10 to the 7th erg/sq cm 5; (2) a strong radio source, associated with a new-born moving sunspot, cannot be ascribed to thermal emission. It is suggested that this source may be due to synchrotron radiation by mildly relativistic electrons accelerated by resistive instabilities occurring in the evolving magnetic configuration. An order-of-magnitude computation of the expected number of accelerated particles seems to confirm this hypothesis.

Drago, F. Chiuderi↗

Free-volume characteristics of epoxies

Positron annihilation spectroscopy was used to measure free-volume characteristics of selected epoxies. Fluorene resins, a new family of high-temperature thermosetting resins, were selected as the test medium. Experimental results indicate that the free-volume cell size V sub f varies with the molecular weight between the cross-links M sub c according to an equation of the form V sub f = AM sub c sup B, where A and B are structural constants. In two of the samples, the concentration of bulky fluorene groups was increased in the network backbone by replacement of some of the conventional bisphenol A epoxy resin with fluorene-derived epoxy resin. This resulted in an increase in their glass transition temperature for a given level of cross-linking. It was found that in these samples, the Doppler broadening of the annihilation peak decreases with the increasing fluorene content, presumably due to enhanced damping of the chain motions.

Singh, Jag J.↗

Three views of two giant streams: Aligned observations at 1 AU, 4.6 AU, and 5.9 AU

A close radial alignment of the Interplanetary Monitoring Platform (IMP) and Pioneers 10 and 11 spacecraft in 1974 allows a nearly unambiguous, empirical study of the radial evolution of the interaction regions of two contrasting weak and strong, giant streams. The study confirms the main aspects of the standard model of corotating interaction regions: an expanding and strengthening pair of forward-reverse shocks sandwich a stream interface. It adds the follwoing concepts: stream group speed--the speed at the stream interface tends to remain constant with distance; corotating stream complexes--interaction regions can include features like noncompressive density enhancements and streamer belts; secondary interfaces--a possible precursor to the reverse shock; and emerging stream interfaces--one emerged between 1 AU and 4.6 AU. The study uses the conservation specific entropy to correlate features between spacecraft.

Siscoe, George↗

Breakup of Droplets in an Accelerating Gas Flow

A study of droplet breakup phenomena by an accelerating gas flow is described. The phenomena are similar to what propellant droplets experience when exposed to accelerating combustion gas flow in a rocket engine combustion zone. Groups of several dozen droplets in the 100-10 750-micron-diameter range were injected into a flowing inert gas in a transparent rectangular nozzle. Motion photography of the behavior of the droplets at various locations in the accelerating gas flow has supplied quantitative and qualitative data on the breakup phenomena which occur under conditions similar to those found in large rocket engine combustors. A blowgun injection device, used to inject very small amounts of liquid at velocities of several hundred feet per second into a moving gas stream, is described. The injection device was used to inject small amounts of liquid RP-1 and water into the gas stream at a velocity essentially equal to the gas velocity where the group of droplets was allowed to stabilize its formation in a constant area section before entering the convergent section of the transparent nozzle. Favorable comparison with the work of previous investigators who have used nonaccelerating gas flow is found with the data obtained from this study with accelerating gas flow. The criterion for the conditions of minimum severity required to produce shear-type droplet breakup in an accelerating gas flow is found to agree well with the criterion previously established at Rocketdyne for breakup in nonaccelerating flow. An extension of the theory of capillary surface wave effects during droplet breakup is also presented. Capillary surface waves propagating in the surface of the droplet, according to classical hydrodynamical laws, are considered. The waves propagate tangentially over the surface of the droplet from the forward stagnation point to the major diameter. Consideration of the effects of relative gas velocity on the amplitude growth of these waves allows conclusions to be made regarding rates of the droplet breakup processes and total time of the breakup process.

Dickerson, R. A.↗

Electrochemical Impedance Spectroscopy of Conductive Polymer Coatings

Electrochemical impedance spectroscopy (EIS) was used to investigate the corrosion protection performance of twenty nine proprietary conductive polymer coatings for cold rolled steel under immersion in 3.55 percent NaCl. Corrosion potential as well as Bode plots of the data were obtained for each coating after one hour immersion, All coatings, with the exception of one, have a corrosion potential that is higher in the positive direction than the corrosion potential of bare steel under the same conditions. Group A consisted of twenty one coatings with Bode plots indicative of the capacitive behavior characteristic of barrier coatings. An equivalent circuit consisting of a capacitor in series with a resistor simulated the experimental EIS data for these coatings very well. Group B consisted of eight coatings that exhibited EIS spectra showing an inflection point which indicates that two time constants are present. This may be caused by an electrochemical process taking place which could be indicitive of coating failing. These coatings have a lower impedance that those in Group A.

Calle, Luz Marina↗

On the RNG theory of turbulence

The Yakhot and Orszag (1986) renormalization group (RNG) theory of turbulence has generated a number of scaling law constants in reasonable quantitative agreement with experiments. The theory itself is highly mathematical, and its assumptions and approximations are not easily appreciated. The present paper reviews the RNG theory and recasts it in more conventional terms using a distinctly different viewpoint. A new formulation based on an alternative interpretation of the origin of the random force is presented, showing that the artificially introduced epsilon in the original theory is an adjustable parameter, thus offering a plausible explanation for the remarkable record of quantitative success of the so-called epsilon-expansion procedure.

Lam, S. H.↗

Doping Scheme of Semiconducting Atomic Chains

Atomic chains, precise structures of atomic scale created on an atomically regulated substrate surface, are candidates for future electronics. A doping scheme for intrinsic semiconducting Mg chains is considered. In order to suppress the unwanted Anderson localization and minimize the deformation of the original band shape, atomic modulation doping is considered, which is to place dopant atoms beside the chain periodically. Group I atoms are donors, and group VI or VII atoms are acceptors. As long as the lattice constant is long so that the s-p band crossing has not occurred, whether dopant atoms behave as donors or acceptors is closely related to the energy level alignment of isolated atomic levels. Band structures are calculated for Br-doped (p-type) and Cs-doped (n-type) Mg chains using the tight-binding theory with universal parameters, and it is shown that the band deformation is minimized and only the Fermi energy position is modified.

Toshishige, Yamada↗

Computing Rotational, Rovibrational, and Vibrational Spectra for Astronomical Observations: High Accuracy Line Lists for High Temperatures, Limited Line Lists for Biosignature Molecules, and PAH Emission Spectra

Over the last several years, our group has been involved in developing approaches to compute highly accurate spectroscopic constants and vibrational frequencies for small transient molecules that may be used in the interpretation and assignment of high-resolution laboratory experiments as well as high-resolution astronomical spectra. Additionally, we have used the computed spectroscopic constants to simulate purely rotational and rovibrational spectra so that these may be compared directly with high- resolution astronomical observations, and we have worked on developing approaches that can be applied to much larger molecules, such as PAHs, where we can explicitly determine an harmonic corrections to vibrational modes as well as take into account intensity sharing due to resonances. Another part of our work in spectroscopic signatures involves computing highly accurate line lists for common molecules, such as CO2, SO2, and NH3, which occur in many astrophysical environments, including the atmospheres of exoplanets, and often need to have their lines identified in high- resolution observations in order to determine which lines are due to other molecules. In order to characterize the atmospheres of hot exoplanets, these line lists need to be very accurate and extend to very high energies. I will discuss our latest work in these areas of astrochemical spectroscopy research.

Lee, Timothy J.↗

Computing rovibrational, vibrational, and cascade emission spectra for comparison to astronomical observations

Over the last several years, our group has been involved in developing approaches to compute highly accurate spectroscopic constants and vibrational frequencies for small transient molecules that may be used in the interpretation and assignment of high-resolution laboratory experiments as well as high-resolution astronomical spectra. Additionally, we have used the computed spectroscopic constants to simulate purely rotational and rovibrational spectra so that these may be compared directly with high-resolution astronomical observations, and we have worked on developing approaches that can be applied to much larger molecules, such as polycyclic aromatic hydrocarbon (PAH) molecules, where we can explicitly determine anharmonic corrections to vibrational frequencies as well as take into account intensity sharing due to resonances. In addition, for PAH molecules we have used the anharmonic data to compute a library of temperature-dependent anharmonic vibrational spectra, with proper inclusion of polyad resonances, which can then be used to model the cascade emission spectra of PAH molecules – the type of spectra directly observed by astronomers. Another part of our work in spectroscopic signatures involves computing highly accurate line lists for common molecules, such as CO2, SO2, and NH3, which occur in many astrophysical environments, including the atmospheres of exoplanents, and often need to have their lines identified in high-resolution observations in order to determine which lines are due to other molecules. In order to characterize the atmospheres of hot exoplanets, these line lists need to be very accurate and extend to very high energies. I will discuss our latest work in these areas of astrochemical spectroscopy research.

Timothy J Lee↗

An examination of a group-velocity criterion for the breakdown of an idealized vortex flow

The phenomenon of vortex breakdown is believed to be associated with a finite amplitude wave that has become trapped at the critical or breakdown location. The conditions at which the propagating waves become trapped at a certain axial location were examined by use of a group-velocity criterion implied by Landahl's general theory of wave trapping. An ideal vortex having constant vorticity and uniform axial velocity at the inlet of a slowly diverging duct was studied. The linear wave propagation analysis is applied to the base flow at several axial stations for several values of the ratio of swirl velocity to axial velocity at the inlet of the divergent duct, assuming a locally parallel flow. The dipsersion relations and hence the group velocities of both the symmetric (n = 0) and asymmetric modes (n = + or - 1) were investigated. The existence of a critical state in the flow (at which the group velocity vanishes), and its relationship to the stagnation point on the axis of the duct and to the occurrence of an irregular singularity in the equations governing wave propagation in the flow field are discussed.

Tsai, C. Y.↗

Adaptive Control Allocation in the Presence of Actuator Failures

In this paper, a novel adaptive control allocation framework is proposed. In the adaptive control allocation structure, cooperative actuators are grouped and treated as an equivalent control effector. A state feedback adaptive control signal is designed for the equivalent effector and allocated to the member actuators adaptively. Two adaptive control allocation algorithms are proposed, which guarantee closed-loop stability and asymptotic state tracking in the presence of uncertain loss of effectiveness and constant-magnitude actuator failures. The proposed algorithms can be shown to reduce the controller complexity with proper grouping of the actuators. The proposed adaptive control allocation schemes are applied to two linearized aircraft models, and the simulation results demonstrate the performance of the proposed algorithms.

Liu, Yu↗

Spectral evolution of multiply impulsive solar bursts

Some results from the analysis of a set of multiply impulsive hard X-ray and microwave solar bursts are presented, showing that some bursts can exhibit widely different magnetic-field strengths at different times. Two categories of microwave spectral behavior are identified: those events during which the microwave turnover frequency (MTF) and spectral shape (SS) remain the same from peak to peak, and those during which the MTF and SS change significantly. These categories correspond to two classes of multiply impulsive bursts: those for which the emission can be characterized by a constant magnetic field and therefore a single source region, and those in which groups of component spikes appear to originate in regions of different magnetic-field strengths, corresponding to separate source regions which flare sequentially. With regard to the latter type, examples are presented, the discrete flaring regions are examined, and their spatial separations are estimated.

Karpen, J. T.↗