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At least 253 records · Page 14

Studies of ClO and BrO reactions important in the polar stratosphere: Kinetics and mechanism of the ClO+BrO and ClO+ClO reactions

The reactions, BrO + ClO yields Br + ClOO (1a) yields Br + OClO (1b) yields BrCl + O2 (1c) and ClO + ClO yields Cl + CiOO (2a) yields Cl + OClO (2b) yields Cl2 + O2 (2c) yields (ClO)2 (2d) have assumed new importance in explaining the unusual springtime depletion of ozone observed in the Antarctic stratosphere. The mechanisms of these reactions involve the formation of metastable intermediates which subsequently decompose through several energetically allowed products providing the motivation to study these reactions using both the discharge flow-mass spectrometric and flash photolysis - ultraviolet absorption techniques. These methods have also been used to explore aspects of the kinetics and spectroscopy of the ClO dimer.

Friedl, Randall R.↗

Simplified Two-Time Step Method for Calculating Combustion Rates and Nitrogen Oxide Emissions for Hydrogen/Air and Hydorgen/Oxygen

A simplified single rate expression for hydrogen combustion and nitrogen oxide production was developed. Detailed kinetics are predicted for the chemical kinetic times using the complete chemical mechanism over the entire operating space. These times are then correlated to the reactor conditions using an exponential fit. Simple first order reaction expressions are then used to find the conversion in the reactor. The method uses a two-time step kinetic scheme. The first time averaged step is used at the initial times with smaller water concentrations. This gives the average chemical kinetic time as a function of initial overall fuel air ratio, temperature, and pressure. The second instantaneous step is used at higher water concentrations (> 1 x 10(exp -20) moles/cc) in the mixture which gives the chemical kinetic time as a function of the instantaneous fuel and water mole concentrations, pressure and temperature (T4). The simple correlations are then compared to the turbulent mixing times to determine the limiting properties of the reaction. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates are used to calculate the necessary chemical kinetic times. This time is regressed over the complete initial conditions using the Excel regression routine. Chemical kinetic time equations for H2 and NOx are obtained for H2/air fuel and for the H2/O2. A similar correlation is also developed using data from NASA s Chemical Equilibrium Applications (CEA) code to determine the equilibrium temperature (T4) as a function of overall fuel/air ratio, pressure and initial temperature (T3). High values of the regression coefficient R2 are obtained.

Molnar, Melissa↗

Development of a three dimensional numerical water quality model for continental shelf applications

A model to predict the distribution of water quality parameters in three dimensions was developed. The mass transport equation was solved using a non-dimensional vertical axis and an alternating-direction-implicit finite difference technique. The reaction kinetics of the constituents were incorporated into a matrix method which permits computation of the interactions of multiple constituents. Methods for the computation of dispersion coefficients and coliform bacteria decay rates were determined. Numerical investigations of dispersive and dissipative effects showed that the three-dimensional model performs as predicted by analysis of simpler cases. The model was then applied to a two dimensional vertically averaged tidal dynamics model for the Providence River. It was also extended to a steady state application by replacing the time step with an iteration sequence. This modification was verified by comparison to analytical solutions and applied to a river confluence situation.

Spaulding, M.↗

Plasma effects on the spontaneous emission of synchrotron radiation from weakly relativistic electrons

A method for computing the spectral emissivity of spontaneous synchrotron radiation is discussed. The Klimontovich (1967) formalism in plasma kinetic theory is adopted in which an ensemble average of the microscopically emitted power is considered. The present method clarifies the meaning of the random phase approximation which is imposed in several existing theories of synchrotron radiation. Both the effects of dielectric polarization and two-particle correlations are included in the present discussion. The theory is applied to the case of a plasma in thermal equilibrium, for which it is shown that the effect of pair correlations on the emissivity vanishes. On the other hand, the effect of dielectric polarization is studied numerically for a wide range of parameters.

Freund, H. P.↗

Satellite recovery - Attitude dynamics of the targets

The problems of categorizing and modeling the attitude dynamics of uncontrolled artificial earth satellites which may be targets in recovery attempts are addressed. Methods of classification presented are based on satellite rotational kinetic energy, rotational angular momentum and orbit and on the type of control present prior to the benign failure of the control system. The use of approximate analytical solutions and 'exact' numerical solutions to the equations governing satellite attitude motions to predict uncontrolled attitude motion is considered. Analytical and numerical results are presented for the evolution of satellite attitude motions after active control termination.

Cochran, J. E., Jr.↗

Collision-induced gas phase dissociation rates

The Landau-Zener theory of reactive cross sections was applied to diatomic molecules dissociating from a ladder of vibrational states. The result predicts a dissociation rate that is quite well duplicated by an Arrhenius function having a preexponential temperature dependence of about T(sub -1/2), at least for inert collision partners. This relation fits experimental data reasonably well. The theory is then used to calculate the effect of vibrational nonequilibrium on dissociation rate. For Morse oscillators, the results are about the same as given by Hammerling, Kivel, and Teare in their analytic approximation for harmonic oscillators, though at very high temperature a correction for the partition function limit is included. The empirical correction for vibration nonequilibrium proposed by Park, which is a convenient algorithm for CFD calculations, is modified to prevent a drastic underestimation of dissociation rates that occurs with this method when vibrational temperature is much smaller than the kinetic temperature of the gas.

Hansen, C. Frederick↗

Atomic force microscopy of atomic-scale ledges and etch pits formed during dissolution of quartz

The processes involved in the dissolution and growth of crystals are closely related. Atomic force microscopy (AFM) of faceted pits (called negative crystals) formed during quartz dissolution reveals subtle details of these underlying physical mechanisms for silicates. In imaging these surfaces, the AFM detected ledges less than 1 nm high that were spaced 10 to 90 nm apart. A dislocation pit, invisible to optical and scanning electron microscopy measurements and serving as a ledge source, was also imaged. These observations confirm the applicability of ledge-motion models to dissolution and growth of silicates; coupled with measurements of dissolution rate on facets, these methods provide a powerful tool for probing mineral surface kinetics.

Gratz, A. J.↗

Biodosimetry results from space flight Mir-18

Astronauts are classified as radiation workers due to the presence of ionizing radiation in space. For the assessment of health risks, physical dosimetry has been indispensable. However, the change of the location of dosimeters on the crew members, the variation in dose rate with location inside the spacecraft and the unknown biological effects of microgravity can introduce significant uncertainties in estimating exposure. To circumvent such uncertainty, a study on the cytogenetic effects of space radiation in human lymphocytes was proposed and conducted for Mir-18, a 115-day mission. This study used fluorescence in situ hybridization (FISH) with whole-chromosome painting probes to score chromosomal exchanges and the Giemsa staining method to determine the frequency of dicentrics. The growth kinetics of cells and sister chromatid exchanges (SCEs) were examined to ensure that chromosomal aberrations were scored in the first mitosis and were induced primarily by space radiation. Our results showed that the frequency of chromosomal aberrations increased significantly in postflight samples compared to samples drawn prior to flight, and that the frequency of SCEs was similar for both pre- and postflight samples. Based on a dose-response curve for preflight samples exposed to gamma rays, the absorbed dose received by crew members during the mission was estimated to be about 14.75 cSv. Because the absorbed dose measured by physical dosimeters is 5.2 cGy for the entire mission, the RBE is about 2.8.

NASA Discipline Radiation Health↗

Modeling Solar Flare Hard X-ray Images and Spectra Observed with RHESSI

Observations obtained with the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) of a flare on February 20, 2002 indicate a hard X-ray (HXR) coronal source at or near the top of a flare loop (called a HXR looptop source). The existence of the HXR looptop source suggests that magnetic reconnection, which is believed to power flares, occurs above the loop. In order to explain this HXR looptop source, I created a steady-state particle transport model, in which high-energy electrons are continuously injected at the top of a semicircular flare loop. Based on the simulation results, I find that the model predictions are consistent with the RHESSI observations in many respects, but the spectrum of the looptop source obtained from the model is steeper than that from the RHESSI data. This suggests that, instead of being accelerated above the loop as generally believed, the particles might be accelerated in the looptop itself. RHESSI-observations of three other homologous flares that occurred between April 14 and 16, 2002, provide strong evidence for the presence of a large scale current sheet above a flare loop, which is the basis of standard flare models. The most convincing finding is the presence of the temperature distribution of a separate coronal source above the flare loops: the hotter part of the coronal source was located lower in altitude the cooler part. Together with the fact that the hotter flare loops are higher than the cooler loops, the observations support the existence of a large-scale current sheet between the top of the flare loops and the coronal source above. Blob-Like sources along a line above the loop in the decay phase of the April 15, 2002, flare, which are suggestive of magnetic islands initiated by the tearing-mode instability, and the observation of a cusp structure in microwaves, further support the presence of the current sheet. The observations of the three homologous flares reveal two other features which are beyond the predictions of the standard flare models: the downward motion of flare loops in the early impulsive phase of each flare, and an initially stationary coronal source above the loops. These features me believed to be related to the formation and development of a current sheet. In particular, the downward loop motion seem to be a common phenomenon in flares, suggesting the necessity for modifications to the existing standard flare. models. Finally, thanks to the broad energy coverage of the RHESSI spectra, a low-energy cutoff of 28 (plus or minus 2) keV in the nonthermal electron distribution was determined for the April 15, 2002, flare. As a result, the energy carried by the nonthermal electrons is found to be comparable to the thermal energy of the flare, but one order of magnitude larger than the kinetic energy of the associated coronal mass ejection. The method used to deduce the electron low-energy cutoff will be useful in the analyses of similar events.

Sui, Linhui↗

Optimal Sampling of a Reaction Coordinate in Molecular Dynamics

Estimating how free energy changes with the state of a system is a central goal in applications of statistical mechanics to problems of chemical or biological interest. From these free energy changes it is possible, for example, to establish which states of the system are stable, what are their probabilities and how the equilibria between these states are influenced by external conditions. Free energies are also of great utility in determining kinetics of transitions between different states. A variety of methods have been developed to compute free energies of condensed phase systems. Here, I will focus on one class of methods - those that allow for calculating free energy changes along one or several generalized coordinates in the system, often called reaction coordinates or order parameters . Considering that in almost all cases of practical interest a significant computational effort is required to determine free energy changes along such coordinates it is hardly surprising that efficiencies of different methods are of great concern. In most cases, the main difficulty is associated with its shape along the reaction coordinate. If the free energy changes markedly along this coordinate Boltzmann sampling of its different values becomes highly non-uniform. This, in turn, may have considerable, detrimental effect on the performance of many methods for calculating free energies.

Pohorille, Andrew↗

Energy Index For Aircraft Maneuvers

Method and system for analyzing, separately or in combination, kinetic energy and potential energy and/or their time derivatives, measured or estimated or computed, for an aircraft in approach phase or in takeoff phase, to determine if the aircraft is or will be put in an anomalous configuration in order to join a stable approach path or takeoff path. A 3 reference value of kinetic energy andor potential energy (or time derivatives thereof) is provided, and a comparison index .for the estimated energy and reference energy is computed and compared with a normal range of index values for a corresponding aircraft maneuver. If the computed energy index lies outside the normal index range, this phase of the aircraft is identified as anomalous, non-normal or potentially unstable.

Chidester, Thomas R.↗

Meteor Shower Forecasting for Spacecraft Operations

Although sporadic meteoroids generally pose a much greater hazard to spacecraft than shower meteoroids, meteor showers can significantly increase the risk of damage over short time periods. Because showers are brief, it is sometimes possible to mitigate the risk operationally, which requires accurate predictions of shower activity. NASA's Meteoroid Environment Office (MEO) generates an annual meteor shower forecast that describes the variations in the near-Earth meteoroid flux produced by meteor showers, and presents the shower flux both in absolute terms and relative to the sporadic flux. The shower forecast incorporates model predictions of annual variations in shower activity and quotes fluxes to several limiting particle kinetic energies. In this work, we describe our forecasting methods and present recent improvements to the temporal profiles based on flux measurements from the Canadian Meteor Orbit Radar (CMOR).

Moorhead, Althea V.↗

Meteor Shower Forecasting for Spacecraft Operations

Although sporadic meteoroids are a much greater hazard to spacecraft than shower meteoroids in general, meteor showers can significantly increase the risk of damage over short time periods. Because showers are brief, it is sometimes possible to mitigate the risk operationally, which requires accurate predictions of shower activity. NASA's Meteoroid Environment Office generates an annual meteor shower forecast that describes the variations in the near-Earth meteoroid flux produced by meteor showers, which presents the shower flux both in absolute terms and relative to the sporadic ux. The shower forecast incorporates model predictions of annual variations in shower activity and quotes fluxes to several limiting particle kinetic energies. In this work, we describe our forecasting methods, compare them to actual observations, and highlight recent improvements to the temporal pro les based on flux measurements from the Canadian Meteor Orbit Radar (CMOR).

Moorhead, Althea V.↗

Application of a First-Principles Anomalous Transport Model for Electrons to Multiple Hall Thrusters and Operating Conditions

We have developed a physics-based model based on a pseudo-particle description of the electron cyclotron drift instability. A key improvement of the model with respect to previous work is that linear theory is not applied in the event of wave saturation and deviations of electrons or ions from a Maxwellian distribution function. In the acceleration region, the anomalous collision frequency is computed as the minimum value necessary to prevent the electron drift velocity from exceeding the thermal velocity. A functional based on the electron equilibration time is defined to control the transition from high to low resistivity regions. The model was previously applied to a single Hall thruster at its nominal operating condition, showing promising results that captured accurately the location of the thruster’s acceleration region. In this paper, we extend the use of this firstprinciples models to two additional thrusters, also considering multiple operating conditions for each of them. Numerical results are compared to experimental measurements obtained with non-invasive laser induced fluorescence. In general, the agreement between experiments and simulations is good. The model is able to predict the location of the acceleration region for all cases. We observe however that fine details, such as changes in the plasma potential gradient within the acceleration regions, are not captured. The model is also insensitive to changes in the magnetic field strength while experiments show that small shifts in location (of less than 5% of the acceleration channel length) occur. We plan to address the weaknesses of our method with the help of physical insight gained from kinetic simulations of the acceleration region.

Chaplin, Vernon H.↗

Unsteady turbulent boundary layers in two-dimensional, incompressible flow.

The paper presents the results of some calculations aimed at studying the characteristics of turbulent boundary layers in unsteady flow. The calculations were performed using the method of Singleton and Nash, which is based on the turbulent kinetic energy equation. Emphasis is placed on the approach to zero wall stress, and the results show the extent to which onset of this condition can be delayed by the effects of time dependence. The delay is not associated merely with alleviation of the pressure gradients, and quasi-steady methods cannot readily be used to calculate this type of flow.

Nash, J. F.↗

Comparison of GEOS-5 AGCM Planetary Boundary Layer Depths Computed with Various Definitions

Accurate models of planetary boundary layer (PBL) processes are important for forecasting weather and climate. The present study compares seven methods of calculating PBL depth in the GEOS-5 atmospheric general circulation model (AGCM) over land. These methods depend on the eddy diffusion coefficients, bulk and local Richardson numbers, and the turbulent kinetic energy. The computed PBL depths are aggregated to the Koppen climate classes, and some limited comparisons are made using radiosonde profiles. Most methods produce similar midday PBL depths, although in the warm, moist climate classes, the bulk Richardson number method gives midday results that are lower than those given by the eddy diffusion coefficient methods. Additional analysis revealed that methods sensitive to turbulence driven by radiative cooling produce greater PBL depths, this effect being most significant during the evening transition. Nocturnal PBLs based on Richardson number are generally shallower than eddy diffusion coefficient based estimates. The bulk Richardson number estimate is recommended as the PBL height to inform the choice of the turbulent length scale, based on the similarity to other methods during the day, and the improved nighttime behavior.

AGCM↗