Classical and quantal scattering. i - the classical action.
Spherically symmetrical classical scattering theory shows dependence on phase shift through appearance in quantal formulas for scattering amplitude and total cross section
MOLECULAR THEORY↗
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Energy conservation as the basis of relativistic mechanics. II.
Energy function and conservation of inertial mass and three-momentum from relativity principle and conservation of energy in particle collisions
CONSERVATION LAW↗
Molecular collisions. V.
Transport coefficient expressions for collisions between rigid diatomic molecules, using perturbation method
TRANSPORT COEFFICIENT↗
Theory of direct scattering of neutral and charged atoms
The theory for direct elastic and inelastic collisions between composite atomic systems formulated within the framework of the Glauber approximation is presented. It is shown that the phase-shift function is the sum of a point Coulomb contribution and of an expression in terms of the known electron-hydrogen-atom and proton-hydrogen-atom phase shift function. The scattering amplitude is reexpressed, the pure Coulomb scattering in the case of elastic collisions between ions is isolated, and the exact optical profile function is approximated by a first-order expansion in Glauber theory which takes into account some multiple collisions. The approximate optical profile function terms corresponding to interactions involving one and two electrons are obtained in forms of Meijer G functions and as a one-dimensional integral, and for collisions involving one or two neutral atoms, the scattering amplitude is further reduced to a simple closed-form expression.
Franco, V.↗
The Density Matrix of H20 - N2 In the Coordinate Representation: A Monte Carlo Calculation of the Far-Wing Line Shape
The far-wing line shape theory within the binary collision and quasistatic framework has been developed using the coordinate representation. Within this formalism, the main computational task is the evaluation of multidimensional integrals whose variables are the orientational angles needed to specify the initial and final positions of the system during transition processes. Using standard methods, one is able to evaluate the 7-dimensional integrations required for linear molecular systems, or the 7-dimensional integrations for more complicated asymmetric-top (or symmetric-top) molecular systems whose interaction potential contains cyclic coordinates. In order to obviate this latter restriction on the form of the interaction potential, a Monte Carlo method is used to evaluate the 9-dimensional integrations required for systems consisting of one asymmetric-top (or symmetric-top) and one linear molecule, such as H20-N2. Combined with techniques developed previously to deal with sophisticated potential models, one is able to implement realistic potentials for these systems and derive accurate, converged results for the far-wing line shapes and the corresponding absorption coefficients. Conversely, comparison of the far-wing absorption with experimental data can serve as a sensitive diagnostic tool in order to obtain detailed information on the short-range anisotropic dependence of interaction potentials.
Ma, Q.↗
Iron catalyst chemistry in modeling a high-pressure carbon monoxide nanotube reactor
The high-pressure carbon monoxide (HiPco) technique for producing single-wall carbon nanotubes (SWNTs) is analyzed with the use of a chemical reaction model coupled with flow properties calculated along streamlines, calculated by the FLUENT code for pure carbon monoxide. Cold iron pentacarbonyl, diluted in CO at about 30 atmospheres, is injected into a conical mixing zone, where hot CO is also introduced via three jets at 30 degrees with respect to the axis. Hot CO decomposes the Fe(CO)5 to release atomic Fe. Then iron nucleates and forms clusters that catalyze the formation of SWNTs by a disproportionation reaction (Boudouard) of CO on Fe-containing clusters. Alternative nucleation rates are estimated from the theory of hard sphere collision dynamics with an activation energy barrier. The rate coefficient for carbon nanotube growth is estimated from activation energies in the literature. The calculated growth was found be about an order of magnitude greater than measured, regardless of the nucleation rate. A study of cluster formation in an incubation zone prior to injection into the reactor shows that direct dimer formation from Fe atoms is not as important as formation via an exchange reaction of Fe with CO in FeCO.
Evaluation Studies↗
Calculation of far wing of allowed spectra: The water continuum
A far-wing line shape theory based on the binary collision and quasistatic approximations that is applicable for both the low- and high-frequency wings of allowed vibrational-rotational lines has been developed. This theory has been applied in order to calculate the frequency and temperature dependence of the continuous absorption coefficient for frequencies up to 10,000 cm(exp -1) for pure H2O and for H2O-N2 mixtures. The calculations are made assuming an interaction potential consisting of an isotropic Lennard-Jones part and the leading long-range anisotropic part, and utilizing the measured line strengths and transition frequencies. The results compare well with existing data, both in magnitude and in temperature dependence. This leads us to the conclusion that although dimer and collision-induced absorptions are present, the primary mechanism responsible for the observed water continuum is the far-wing absorption of allowed lines. Recent progress on near-wing corrections to the theory and validations with recent laboratory measurements are discussed briefly.
Tipping, R. H.↗
Negative electron cyclotron resonance absorption due to collisions.
Negative cyclotron resonance absorption due to electron elastic collisions with noble gas atoms, comparing results with kinetic plasma wave theory predictions
CYCLOTRON RESONANCE↗
Theory of the water vapor continuum and validations
A far-wing line shape theory based on the binary collision and quasistatic approximations that is applicable for both the low- and high-frequency wings of the vibration-rotational bands has been developed. This theory has been applied in order to calculate the frequency and temperature dependence of the continuous absorption coefficient for frequencies up to 10,000 cm(exp -1) for pure H2O and for H2O-N2 mixtures. The calculations were made assuming an interaction potential consisting of an isotropic Lennard-Jones part with two parameters that are consistent with values obtained from other data, and the leading long-range anisotropic part, together with the measured line strengths and transition frequencies. The results, obtained without the introduction of adjustable parameters, compare well with the existing laboratory data, both in magnitude and in temperature dependence. This leads us to the conclusion that the water continuum can be explained in terms of far-wing absorption. Current work in progress to extend the theory and to validate the theoretically calculated continuum will be discussed briefly.
Tipping, Richard H.↗
Towards a theory for the Uranian rings
Interparticle collisions, radiation drag, and differential precession all tend to disrupt the rings of Uranus. The first two effects lead to radial spreading which would disrupt a free ring in less than or approximately 100,000,000 yr. It is proposed that the rings are confined in radius by gravitational torques from a series of small satellites that orbit with the ring system. Differential precession tends to destroy the apse alignment of the elliptical epsilon ring. It is suggested that apse alignment is maintained by the self-gravity of the ring. The resulting mass of the epsilon ring is approximately 5 times 10 to the 18th power g. Its radial confinement requires (for example) a pair of satellites of mass approximately 10 to the 19th power g, in circular orbits roughly 500 km away on either side of the ring
Goldreich, P.↗
Momentum loss in proton-nucleus and nucleus-nucleus collisions
An optical model description, based on multiple scattering theory, of longitudinal momentum loss in proton-nucleus and nucleus-nucleus collisions is presented. The crucial role of the imaginary component of the nucleon-nucleon transition matrix in accounting for longitudinal momentum transfer is demonstrated. Results obtained with this model are compared with Intranuclear Cascade (INC) calculations, as well as with predictions from Vlasov-Uehling-Uhlenbeck (VUU) and quantum molecular dynamics (QMD) simulations. Comparisons are also made with experimental data where available. These indicate that the present model is adequate to account for longitudinal momentum transfer in both proton-nucleus and nucleus-nucleus collisions over a wide range of energies.
Khan, Ferdous↗
Correlation effects in the theory of combined Doppler and pressure broadening. I - Classical theory
An investigation is conducted of the combined effects of radiator-perturber collisions and radiator translational motion in the context of foreign gas broadening of optical transitions in neutral radiators. Questions concerning the speed-dependent collision frequency are considered and aspects of general theory are explored, taking into account the correlation function, the ensemble average, and the kinetic equation formalism. An elementary solution is discussed along with a one-perturber approximation, inverse power law model calculations, and a comparison with the Voigt profile.
Ward, J.↗
A collision-selection rule for a particle simulation method suited to vector computers
A theory is developed for a selection rule governing collisions in a particle simulation of rarefied gas-dynamic flows. The selection rule leads to an algorithmic form highly compatible with fine grain parallel decomposition, allowing for efficient utilization of supercomputers having vector or massively parallel single instruction multiple data architectures. A comparison of shock-wave profiles obtained using both the selection rule and Bird's direct simulation Monte Carlo (DSMC) method show excellent agreement. The equation on which the selection rule is based is shown to be directly related to the time-counter procedure in the DSMC method. The results of several example simulations of representative rarefied flows are presented, for which the number of particles used ranged from 10 to the 6th to 10 to the 7th demonstrating the greatly improved computational efficiency of the method.
Baganoff, D.↗
Redistribution of resonance radiation. I - The effect of collisions.
The techniques of modern line-broadening theory are used to investigate the scattering of polarized radiation in the rest frame of an atom undergoing collisions. The formulation explicitly includes both elastic and inelastic (quenching) collisions. When the lower state has zero width, a form for the redistribution function similar to that of Zanstra is obtained, but with the redistribution in the neighborhood of the resonance line being caused solely by elastic collisions. In the limit of no collisions, but with both levels of finite lifetime, the result of Weisskopf and Woolley is obtained. The effect of level-degeneracy is also explicitly included; in this case the results are a function of the polarization of the light and the different relaxation rates for the multipolar components of the atomic states.
Omont, A.↗
Condensation in CO2 free jet expansions. II - Growth of small clusters.
An investigation into the kinetics of molecular clustering processes which occur in the highly supersaturated vapor of a CO2 free jet is described. Terminal cluster concentrations in expansions from room temperature and reservoir pressures in the range from 400 to 900 torr were determined for trimeric CO2 for nozzle diameters of .0076 cm, .015 cm, and .023 cm and in the case of CO2 tetramer and pentamer for .015 cm nozzle diameter. The measurements were made mass spectrometrically in a supersonic molecular beam apparatus. A kinetic analysis was developed from an extension of the critical nucleus concept of nucleation theory and rate equations based on intermolecular collisions. The observed cluster populations could be accounted for by the theory by adopting sticking probabilities of approximately .03 for monomer impinging on dimer, trimer, and tetramer.
Dorfeld, W. G.↗
Stark-profile calculations for Lyman-series lines of one-electron ions in dense plasmas
The frequency distributions of the first six Lyman lines of hydrogenlike carbon, oxygen, neon, magnesium, aluminum, and silicon ions broadened by the local fields of both ions and electrons are calculated for dense plasmas. The electron collisions are treated by an impact theory allowing (approximately) for level splittings caused by the ion fields, finite duration of the collisions, and screening of the electron fields. These calculations are fully quantum mechanical and include the full Coulomb interaction. Ion effects are calculated in the quasistatic, linear-Stark-effect approximation, using distribution functions of Hooper and Tighe which include correlation and shielding effects. Theoretical uncertainties from the various approximations are estimated, and the scaling of the profiles with density, temperature, and nuclear charge is discussed. A correction for the effects caused by low-frequency field fluctuations is suggested.
Griem, H. R.↗
Density drift instabilities and weak collisions
A model is developed which describes the effects of weak collisions on the linear kinetic theory of electrostatic density drift instabilities. A dispersion equation valid at all frequencies and wave numbers is derived using the assumptions of a weak, uniform density gradient; a uniform magnetic field; and the BGK collision operator with a modification of the local approximation. The properties of the universal and collisional density drift instabilities at maximum growth rates are examined in detail. The thresholds of the instabilities are examined for an ionospheric model which includes ion-neutral, electron-neutral, and electron-ion collisions, and are compared with the threshold of the lower hybrid density drift instability. It is concluded that the k to the -5th short wavelength density power spectra observed above 280 km in the PLUMEX experiment are due to the effects of the universal density drift instability.
Gary, S. P.↗
TPSAS-NF1676L-13712-DND
I was recently tasked to work on an FAA funded task to investigate how the introduction of adaptive systems into air space management or avionics would impact software safety. Talking to control theory experts got a control theory answer, not a software answer and talking to software people got me answers about software in general. In this talk I discuss these two different viewpoints. Where the views of each group fall in the DO-178 process and how the collision of software and control theory cultures showed up when writing a new standard for Model Based Design. Some slides contain opinions and I hope the audience will feel free to respond with their own observations.
Alwyn E Goodloe↗