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At least 19 records

The kinetics and dynamics of the coma of Halley's comet

This grant to the University of Michigan supported the efforts of Michael R. Combi to serve as a co-investigator in collaboration with a larger effort by the principal investigator, William Smyth of Atmospheric and Environmental Research, Inc. The overall objective of this project was to analyze in a self-consistent manner unique optical O((sup 1)D) and NH2 ultra-high resolution line profile data of excellent quality and other supporting lower-resolution spectral data for the coma of comet P/Halley by using highly developed and physically-based cometary coma models in order to determine and explain in terms of physical processes the actual dynamics and photochemical kinetics that occur in the coma. The justification for this work is that it provides a valuable and underlying physical base from which to interpret significantly different types of coma observations in a self-consistent manner and hence bring into agreement (or avoid) apparent inconsistencies that arise from non-physically based interpretations. The level of effort for the Michigan component amounted to less than three person-months over a planned period of three years. The period had been extended at no extra cost to four years because the Michigan grant and the AER contract did not have coincident time periods. An effort of somewhat larger scope was undertaken by the PI. The importance of the O((sup 1)D) profiles is that they provide a direct trace of the water distribution in comets. The line profile shape is produced by the convolution of the outflow velocity and thermal dispersion of the parent water molecules with the photokinetic ejection of the oxygen atoms upon photodissociation of the parent water molecules. Our understanding of the NH2 and its precursor ammonia are important for comet-to-comet composition variations as they relate to the cosmo-chemistry of the early solar nebula. Modeling of the distribution of NH2 is necessary in order to infer the ammonia production rates from NH2 observations.

Combi, Michael R.↗

The kinetic and dynamic aspects of corrosion fatigue in a gaseous hydrogen environment.

The stable, subcritical crack growth stage of fracture under conditions of corrosion fatigue was studied experimentally in order to demonstrate the importance of the kinetic and dynamic aspects of environment-sensitive behavior. The cyclic loading of a titanium alloy in a low-pressure gaseous hydrogen environment is compared to that in a vacuum environment. The influence of the hydrogen environment on the rate of subcritical crack growth is discussed.

Nelson, H. G.↗

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Jaffe, Richard L.↗

Gas Dynamics and Kinetics in the Cometary Coma: Theory and Observations

Our ability to describe the physical state of the expanding coma affects fundamental areas of cometary study both directly and indirectly. In order to convert measured abundances of gas species in the coma to gas production rates, models for the distribution and kinematics of gas species in the coma are required. Conversely, many different types of observations, together with laboratory data and theory, are still required to determine coma model attributes and parameters. Accurate relative and absolute gas production rates and their variations with time and from comet to comet are crucial to our basic understanding of the composition and structure of cometary nuclei and their place in the solar system. We review the gas dynamics and kinetics of cometary comae from both theoretical and observational perspectives, which are important for understanding the wide variety of physical conditions that are encountered.

Combi, Michael R.↗

Transient gain-versus-absorption laser probing of spin-orbit states, kinetics and dynamics

The spin-orbit populations of excited (2P1/2) and ground (2P3/2) state Br atoms at 2714 nm and I atoms at 1315 nm are examined using a tunable F-center laser and a diode laser. The transient laser gain-versus-absorption measurements are utilized to estimate quantum yields of the spin-orbit states in the photodissociation of Br- and I-containing compounds; the continuum yields for Br2 are investigated in terms of temperature. The collisional release, Doppler velocity effects, and differing reactivity of the spin-orbit excited and ground state atoms are studied. It is noted that the transient gain versus absorption technique is applicable to the analysis of kinetic phenomena due to its high sensitivity and excellent time resolution.

Smedley, John E.↗

Partial Overhaul and Initial Parallel Optimization of KINETICS, a Coupled Dynamics and Chemistry Atmosphere Model

KINETICS is a coupled dynamics and chemistry atmosphere model that is data intensive and computationally demanding. The potential performance gain from using a supercomputer motivates the adaptation from a serial version to a parallelized one. Although the initial parallelization had been done, bottlenecks caused by an abundance of communication calls between processors led to an unfavorable drop in performance. Before starting on the parallel optimization process, a partial overhaul was required because a large emphasis was placed on streamlining the code for user convenience and revising the program to accommodate the new supercomputers at Caltech and JPL. After the first round of optimizations, the partial runtime was reduced by a factor of 23; however, performance gains are dependent on the size of the data, the number of processors requested, and the computer used.

KINETICS↗

Dynamic crystallization and kinetic melting of the lunar soil

Dynamic crystallization and kinetic melting tests have been conducted for a lunar soil that resembles the bulk composition of the matrices of melt-rock breccias. The melting tests indicate that plagioclase and olivine can exist for finite times above their equilibrium liquidus temperatures; within 20-30 C below its liquidus temperature the sample is choked with crystals. A range of textures from radiate to porphyritic pyroxene-plagioclase granophyric to subophitic to intergranular to intersertal to very fine-grained poikilitic is found in the dynamic crystallization experiments. The number of nuclei, as deduced from the textures, increases as the melting temperature deceases from above the liquidus to below.

Lofgren, G. E.↗

Kinetic aspects of magnetotail dynamics - Observations

The observed kinetic (as opposed to fluid) aspects of particle behavior in the geomagnetic tail are discussed. Such behavior has been observed from thermal plasma energies to energies a few MeV or more. The importance of recognizing and analyzing the kinetic behavior of tail particles is that it provides a powerful diagnostic tool for inferring the state of the local and remote environment and the mechanisms responsible for observed tail dynamics, and a way of determining when fluid analyses (relying upon moments such as bulk velocity and temperature) may be misleading. Thus kinetic analyses provide a valuable complement to fluid-dynamics-based studies of the collective behavior of geomagnetic tail particles. Observed kinetic effects can be analyzed to examine spatial gradients; convection electric fields, distances to source regions, source-region characteristics, magnetic-field topology, heating/acceleration mechanism, boundary characteristics, and remote mechanisms affecting local particle distributions.

Mitchell, D. G.↗

Growth from Solutions: Kink dynamics, Stoichiometry, Face Kinetics and stability in turbulent flow

1. Kink dynamics. The first segment of a polygomized dislocation spiral step measured by AFM demonstrates up to 60% scattering in the critical length l*- the length when the segment starts to propagate. On orthorhombic lysozyme, this length is shorter than that the observed interkink distance. Step energy from the critical segment length based on the Gibbs-Thomson law (GTL), l* = 20(omega)alpha/(Delta)mu is several times larger than the energy from 2D nucleation rate. Here o is tine building block specific voiume, a is the step riser specific free energy, Delta(mu) is the crystallization driving force. These new data support our earlier assumption that the classical Frenkel, Burton -Cabrera-Frank concept of the abundant kink supply by fluctuations is not applicable for strongly polygonized steps. Step rate measurements on brushite confirms that statement. This is the1D nucleation of kinks that control step propagation. The GTL is valid only if l* <Dk/vk, the diffusion path of a kink that has diffusivity Dk and average growth velocity vk. This is equivalent to supersaturations sigma less than approx. alpha/2l*, where alpha is the building block size. For lysozyme, sigma much less than (1%). Conventionally used interstep distance generated by screw dislocation, 19(omega)alpha/Delta(mu) should be replaced by the very different real one, approx.4l*. 2. Stoichiometry. Kink, and thus step and face rates of a non-Kossel complex molecular monocomponent or any binary, AB, lattice was found theoretically to be proportional to 1/(zeta(sup 1/2) + zeta(sup - 1/2)), where zeta = [B]/[A] is the stoichiometry ratio in solution. The velocities reach maxima at zeta = 1. AFM studies of step rates on CaOxalate monohydrate (kidney stones) from aqueous solution was found to obey the law mentioned above. Generalization for more complex lattice will be discussed. 3. Turbulence. In agreement with theory, high precision in-situ laser interferometry of the (101) KDP crystal face shows step bunching if solution flows parallel to the step flow. The bunch height increases with the distance the bunch travels, i.e. with the face size. However, when the flow rate, u, increases, at u greater than approx. 1 m / s , the average step bunch height decreases as 1/u. The pheonomenon is attributed to the turbulent rather than laminar viscous boundary layer where diffusivity Dt = 0.5u(sub tau),y, i.e. increases linearly with the distance y from the solid face. Friction velocity, u(sub tau) approx. u(sup 7/8). Dramatically larger rate of the mass/heat transport within the turbulent, as compared to the laminar, viscous layer will be discussed.

Chernov, A. A.↗

Test of Shi et al. Method to Infer the Magnetic Reconnection Geometry from Spacecraft Data: MHD Simulation with Guide Field and Antiparallel Kinetic Simulation

When analyzing data from an array of spacecraft (such as Cluster or MMS) crossing a site of magnetic reconnection, it is desirable to be able to accurately determine the orientation of the reconnection site. If the reconnection is quasi-two dimensional, there are three key directions, the direction of maximum inhomogeneity (the direction across the reconnection site), the direction of the reconnecting component of the magnetic field, and the direction of rough invariance (the "out of plane" direction). Using simulated spacecraft observations of magnetic reconnection in the geomagnetic tail, we extend our previous tests of the direction-finding method developed by Shi et al. (2005) and the method to determine the structure velocity relative to the spacecraft Vstr. These methods require data from four proximate spacecraft. We add artificial noise and calibration errors to the simulation fields, and then use the perturbed gradient of the magnetic field B and perturbed time derivative dB/dt, as described by Denton et al. (2010). Three new simulations are examined: a weakly three-dimensional, i.e., quasi-two-dimensional, MHD simulation without a guide field, a quasi-two-dimensional MHD simulation with a guide field, and a two-dimensional full dynamics kinetic simulation with inherent noise so that the apparent minimum gradient was not exactly zero, even without added artificial errors. We also examined variations of the spacecraft trajectory for the kinetic simulation. The accuracy of the directions found varied depending on the simulation and spacecraft trajectory, but all the directions could be found within about 10 for all cases. Various aspects of the method were examined, including how to choose averaging intervals and the best intervals for determining the directions and velocity. For the kinetic simulation, we also investigated in detail how the errors in the inferred gradient directions from the unmodified Shi et al. method (using the unperturbed gradient) depended on the amplitude of the calibration errors. For an accuracy of 3 for the maximum gradient direction, the calibration errors could be as large as 3% of reconnection magnetic field, while for the same accuracy for the minimum gradient direction, the calibration errors could only be as large as 0.03% of the reconnection magnetic field. These results suggest that the maximum gradient direction can normally be determined by the unmodified Shi et al. method, while the modified method or some other method must be used to accurately determine the minimum gradient direction. The structure velocity was found with magnitude accurate to 2% and direction accurate to within 5%.

Denton, R.↗

The effects of sooting in droplet combustion

The study of the burning of a single droplet is an ideal problem from which to gain fundamental understanding of diffusion flame characteristics. Droplet combustion is a complex physico-chemical process that involves a chemically-reacting two-phase flow with phase changes and yet simple experiments and analysis can be used to attain important insights into the burning rate, flame dynamics, kinetic extinction and disruption processes. It is a subject that has been actively studied for the past 40 years with most of the fundamental experiments being performed under reduced-gravity conditions for direct comparisons with theoretical/computational analyses that invoke spherical symmetry assumptions. In the earlier studies, the effects of sooting on the overall burning characteristics were not considered. However, recent microgravity investigations performed at the NASA-LeRC droptowers (Droplet Combustion Experiment) and others indicate that effects of soot and sootcloud formation may be significant during the lifetime of the droplet and therefore must be included in the analysis.

Lee, Kyeong-Ook↗

A Design Methodology for Rapid Implementation of Active Control Systems Across Lean Direct Injection Combustor Platforms

The VACCG team is comprised of engineers at Virginia Tech who specialize in the subject areas of combustion physics, chemical kinetics, dynamics and controls, and signal processing. Currently, the team's work on this NRA research grant is designed to determine key factors that influence combustion control performance through a blend of theoretical and experimental investigations targeting design and demonstration of active control for three different combustors. To validiate the accuracy of conclusions about control effectiveness, a sequence of experimental verifications on increasingly complex lean, direct injection combustors is underway. During the work period January 1, 2002 through October 15, 2002, work has focused on two different laboratory-scale combustors that allow access for a wide variety of measurements. As the grant work proceeds, one key goal will be to obtain certain knowledge about a particular combustor process using a minimum of sophisticated measurements, due to the practical limitations of measurements on full-scale combustors. In the second year, results obtained in the first year will be validated on test combustors to be identified in the first quarter of that year. In the third year, it is proposed to validate the results at more realistic pressure and power levels by utilizing the facilities at the Glenn Research Center.

Baumann, William T.↗

Kinetic aspects of tail dynamics - Theory and simulation

Kinetic theories relevant to the geomagnetic tail are reviewed. The topics discussed include kinetic instabilities, simulations, and current-sheet particle acceleration. Tearing mode and reconnection theories are emphasized. Kinetic treatment is appropriate for these topics since the tail plasma is collisionless. Fluid calculations are appropriate when stochastic processes dominate and for studies where long wavelengths are important. However, fluid treatments of tearing modes and reconnection require a finite resistivity in the diffusion region. Thus, although 'anomalous resistivity' can be guessed or in some cases calculated, ideally the kinetic treatment is often to be preferred. Particle motion and acceleration in the current sheet can give rise to beam-like distributions in the plasma-sheet boundary layer. Studies of current-sheet particle motion have also been used as the basis for 'kinetic' tail equilibrium models. Furthermore, quite recently current-sheet particle motion is used directly in Coroniti's explosive tail reconnection model. The 'inertial conductivity' from the equilibrium models provides the 'dissipation' necessary for reconnection.

Speiser, T. W.↗

Nonlinear Dynamics and Nucleation Kinetics in Near-Critical Liquids

The objective of our study is to model the nonlinear behavior of a near-critical liquid following a rapid change of the temperature and/or other thermodynamic parameters (pressure, external electric or gravitational field). The thermodynamic critical point is manifested by large, strongly correlated fluctuations of the order parameter (particle density in liquid-gas systems, concentration in binary solutions) in the critical range of scales. The largest critical length scale is the correlation radius r(sub c). According to the scaling theory, r(sub c) increases as r(sub c) = r(sub 0)epsilon(exp -alpha) when the nondimensional distance epsilon = (T - T(sub c))/T(sub c) to the critical point decreases. The normal gravity alters the nature of correlated long-range fluctuations when one reaches epsilon approximately equal to 10(exp -5), and correspondingly the relaxation time, tau(r(sub c)), is approximately equal to 10(exp -3) seconds; this time is short when compared to the typical experimental time. Close to the critical point, a rapid, relatively small temperature change may perturb the thermodynamic equilibrium on many scales. The critical fluctuations have a hierarchical structure, and the relaxation involves many length and time scales. Above the critical point, in the one-phase region, we consider the relaxation of the liquid following a sudden temperature change that simultaneously violates the equilibrium on many scales. Below T(sub c), a non-equilibrium state may include a distribution of small scale phase droplets; we consider the relaxation of such a droplet following a temperature change that has made the phase of the matrix stable.

Patashinski, Alexander Z.↗

Kinetic description of ionospheric dynamics in the three-fluid approximation

Conservation equations are developed in the three-fluid approximation for general application problems of ionospheric dynamics in the altitude region 90 km to 800 km for all geographic locations. These equations are applied to a detailed study of auroral E region neutral winds and their relationship to ionospheric plasma motions.

Comfort, R. H.↗

The Role of Kinetic Processes in Magnetospheric Dynamics

The question of whether the micro scale controls the macro scale or vice-versa remains one of the most challenging problems in plasmas. A particular topic of interest within this context is collisionless magnetic reconnection, where both points of views are espoused by different groups of researchers. This presentation will focus on this topic. We will begin by analyzing the global properties of magnetic reconnection. Following that, we discuss properties of electron diffusion region dynamics both for guide field and antiparallel reconnection, and how they can be scaled to different inflow conditions. As a next step, we will study typical temporal variations of the microscopic dynamics with the objective of understanding the potential for secular changes to the macroscopic system. The research will be based on a combination of analytical theory and numerical modeling.

Hesse, Michael↗