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Validity of approximate methods in molecular scattering - Thermal HCl-He collisions

Accurate close coupling scattering calculations are presented for thermal energy HCl-He collisions. The interaction potential is obtained from the Gordon-Kim electron gas model, adjusted to have the correct long-range multipole form. A variety of phenomenological cross sections are computed from the close coupling S matrix, and these are compared with results from several commonly employed approximate methods. In particular, it is found that the total integral, total differential, and gas kinetic cross sections are accurately predicted by the central field approximation which retains just the spherical average of the interaction. Integral inelastic cross sections are represented quite accurately by the coupled states approximation of McGuire and Kouri, but only qualitatively by the effective potential method of Rabitz.

Green, S.↗

Combustion kinetics and sensitivity analysis computations

The stiff ordinary differential equation solution methods more commonly used for chemical kinetics problems are examined, and the efficiency and accuracy of several of the methods are compared by applying them to two combustion kinetics problems. The local sensitivity analysis methods developed to date are outlined, and their advantages and difficulties are briefly discussed. Examples are used to make comparisons among the different techniques.

Radhakrishnan, K.↗

An analysis of a charring ablator with thermal nonequilibrium, chemical kinetics, and mass transfer

The differential equations governing the transient response of a one-dimensional ablative thermal protection system are presented for thermal nonequilibrium between the pyrolysis gases and the char layer and with finite rate chemical reactions occurring. The system consists of three layers (the char layer, the uncharred layer, and an optical insulation layer) with concentrated heat sinks at the back surface and between the second and third layers. The equations are solved numerically by using a modified implicit finite difference scheme to obtain solutions for the thickness of the charred and uncharred layers, surface recession and pyrolysis rates, solid temperatures, porosity profiles, and profiles of pyrolysis-gas temperature, pressure, composition, and flow rate. Good agreement is obtained between numerical results and exact solutions for a number of simplified cases. The complete numerical analysis is used to obtain solutions for an ablative system subjected to a constant heating environment. Effects of thermal, chemical, and mass transfer processes are shown.

Clark, R. K.↗

Theoretical studies of solar lasers and converters

The geometry and setup for the n-C3F7I iodine laser are illustrated. The mathematical modeling of this system is described. The chemical kinetics are summarized. A sensitivity analysis was performed on the parameters occurring in the differential equations describing the chemical kinetics.

Heinbockel, John↗

Dissociative excitation of H2, HD, and D2 by electron impact

Time-of-flight techniques have been used to investigate the electron-impact dissociation of H2, HD, and D2 in order to determine the effect of isotopic mass variation in the target molecule on the dissociative excitation process. At incident electron energies near 100 eV, the time-of-flight spectrum produced from each molecule consists of atoms in the metastable 2s state and in high-lying long-lived Rydberg levels. The individual time-of-flight distributions, kinetic-energy spectra, and relative differential cross sections for these two species resulting from each molecule have been measured. The kinetic-energy spectrum of the Rydberg atoms produced from dissociative excitation of H2 was notably dissimilar in shape from the corresponding distributions produced from HD and D2. Also the 2s and Rydberg production cross sections differed between the three molecules. In the dissociation of the heteronuclear HD molecule, the ratio of fast H(2s) atoms to D(2s) atoms was about 1 to 1, while the same ratio comparing the Rydberg atoms was nearly 2 to 1. These differences indicate the influence of the mass variation on the position of the Franck-Condon region in the production of 2s atoms and on the competition between autoionization and dissociation in the formation of Rydberg fragments.

Carnahan, B. L.↗

Galactic cosmic ray modulation from 1965-1970.

Numerical solutions of the cosmic-ray equation of transport within the solar cavity and including the effects of diffusion, convection, and energy losses due to adiabatic deceleration, have been used to reproduce the modulation of galactic electrons, protons, and helium nuclei observed during the period from 1965 to 1970. Kinetic energies between 10 and 10,000 MeV/nucleon are considered. Computed and observed spectra are given for the years 1965, 1968, 1969, and 1970 together with the diffusion coefficients. These diffusion coefficients are assumed to be of separable form in rigidity and radial dependence, and are consistent with the available magnetic-field power spectra. The force-field solutions are given for these diffusion coefficients and galactic spectra and are compared with the numerical solutions. It is shown that the energy losses and convection lead to near-earth nuclei spectra at kinetic energies less than or equal to 100 MeV/nucleon in which the differential intensity is proportional to the kinetic energy with little dependence on the form of the galactic spectrum. This dependence is in agreement with the observed spectra of all species of atomic nuclei and it is argued that this provides strong observational evidence for the presence of energy losses in the propagation process, and for the exclusion of low-energy galactic nuclei from near earth.

Urch, I. H.↗

Preosteoblast production 55 hours after a 12.5-day spaceflight on Cosmos 1887

The influence of 12.5 days of spaceflight and a 55 h stressful recovery period (at 1 g) on fibroblastlike osteoblast precursor cells was assessed in the periodontal ligament (PDL) of rats that were 91 days old at launch. Nuclear morphometry was used as a marker for precursor cell differentiation in 3 microns sections cut in the midsagittal plane from the maxillary first molar. According to nuclear volume, cells were classified as preosteoblasts (C + D cells, greater than or equal to 120 microns 3) and less differentiated progenitor cells (A + A' cells, 40-79 microns 3). Compared with synchronous controls (simulated flight conditions), the 55 h postflight recovery period at 1 g resulted in a 40% decrease in the A + A' cell population, a 42% increase in the C + D cells, and a 39% increase in the number of PDL fibroblastlike cells near the bone surface. These results are consistent with a postflight osteogenic response in PDL. This recovery response occurred despite physiological stress in the flight animals that resulted in a highly significant (P less than or equal to 0.001) increase in adrenal weight. The data suggest that after spaceflight there is a strong and rapid recovery mechanism for osteoblast differentiation that is not suppressed by physiological stress.

Cosmos 1887 Project↗

Experiments on Nucleation in Different Flow Regimes

The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods. Dilatometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov. The advantage of these experiments is that the samples are directly observable. The nucleation temperature can be measured by noncontact optical pyrometry, the mass of the sample is known, and post processing analysis can be conducted on the sample. The disadvantages are that temperature measurement must have exceptionally high precision, and it is not possible to isolate specific heterogeneous sites as in droplet dispersions.

Bayuzick, R. J.↗

Experiments on Nucleation in Different Flow Regimes

The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods. Dilitometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov. The advantage of these experiments is that the samples are directly observable. The nucleation temperature can be measured by noncontact optical pyrometry, the mass of the sample is known, and post-processing analysis can be conducted on the sample. The disadvantages are that temperature measurement must have exceptionally high precision, and it is not possible to isolate specific heterogeneous sites as in droplet dispersions. Levitation processing of refractory materials in ultra high vacuum provides an avenue to conduct these kinetic studies on single samples. Two experimental methods have been identified where ultra high vacuum experiments are possible; electrostatic levitation in ground-based experiments and electromagnetic processing in low earth orbit on TEMPUS. Such experiments, reported here, were conducted on zirconium. Liquid zirconium is an excellent solvent and has a high solubility for contaminants contained in the bulk material as well as those contaminants found in the vacuum environment. Oxides, nitrides, and carbides do not exist in the melt, and do not form on the surface of molten zirconium, for the materials and vacuum levels used in this study. Ground-based experiments with electrostatic levitation have shown that the statistical nucleation kinetic experiments are viable and yield results which are consistent with classical nucleation theory. The advantage of low earth orbit experiments is the ability to vary the flow conditions in the liquid prior to nucleation. The put-pose of nucleation experiments in TEMPUS was to examine.

Bayuzick, R. J.↗

Kinetics of imidization and crosslinking in PMR-polyimide resin

Infrared spectroscopy and differential scanning calorimetry were employed to study the imidization and crosslinking kinetics of norbornenyl-capped, addition-type polyimide resins (designated PMR for polymerization of monomer reactants). The spectral and thermal analyses were performed on resin specimens which had been isothermally aged at temperatures appropriate for imidization (120 to 204 C) and crosslinking (275 to 325 C). Imidization occurs rapidly (approximately 0.01/min) at short times, while at times longer than approximately 0.5 hour, the rate decreases significantly (approximately 0.0001/min). The crosslinking reaction exhibits first order kinetics during the initial portion of the reaction and its rate appears to be limited by the reversion of the norbornenyl Diels-Alder adduct. The total heat evolved per mole of endcap during crosslinking shows an inverse dependence on the molecular weight of the imide prepolymers. This reflects the effect of endcap dilution and decreased mobility of the larger oligomers.

Lauver, R. W.↗

The NASA Ames Research Center one- and two-dimensional stratospheric models. Part 1: The one-dimensional model

A one-dimensional model of stratospheric trace constituents is described in detail. Specifically, the numerical solution of the species continuity equations, including a technique for treating the stiff differential equations representing the chemical kinetic terms, and an appropriate method for simulating the diurnal variations of the species concentrations, are discussed. A specialized treatment of atmospheric photodissociation rates is outlined in the text. The choice of a vertical eddy diffusivity profile and its success in predicting the vertical tracer distributions (carbon 14, methane, and nitrous oxide) are also discussed.

Turco, R. P.↗

Crystallization kinetics in a multiply saturated basalt magma - An experimental study of Luna 24 ferrobasalt

The paper deals with the effects of kinetics on mineral/melt partitioning and on fractional crystallization for a Luna-24 ferrobasalt. The composition is nearly multiply saturated under lunar surface conditions, making it possible to study the response of several mineral phases to kinetic factors during cooling. The differential suppression of the temperature of appearance of olivine, clinopyroxene, and plagioclase causes changes in the liquid line of descent. The course of liquid line of descent is mapped as a function of the cooling rate, and the partitioning of elements between pyroxene/liquid and olivine/liquid is examined.

Grove, T. L.↗

Stellar Mixing: I. Formalism

In this paper we use the Reynolds stress models (RSM) to derive algebraic expressions for the following variables: a) heat fluxes; b) J.l fluxes; and c) momentum fluxes. These relations, which are fully 3D, include: 1) stable and unstable stratification, represented by the Brunt-Vaislila frequency, N(exp 2) =-g/H(sub p_(del - del(sub ad))(1 - RI(sub mu)); 2) double diffusion, salt-fingers, and semi-convection, represented by the density ratio R(sub mu) = del(sub mu)/(del - del(sub ad)); 3) shear (differential rotation), represented by the mean squared shear Sigma(exp 2) or by the Richardson number, Ri =N(exp 2)Sigma(exp -2); 4) radiative losses represented by a Peclet number, Pe; 5) a complete analytical solution of the ID version of the model. In general, the model requires the solution of two differential equations for the eddy kinetic energy K and its rate of dissipation, epsilon. In the local and stationary cases, when production equals dissipation, the model equations are all algebraic.

Canuto, V .M.↗

Experiments on Nucleation in Different Flow Regimes

The vast majority of metallic engineering materials are solidified from the liquid phase. Understanding the solidification process is essential to control microstructure, which in turn, determines the properties of materials. The genesis of solidification is nucleation, where the first stable solid forms from the liquid phase. Nucleation kinetics determine the degree of undercooling and phase selection. As such, it is important to understand nucleation phenomena in order to control solidification or glass formation in metals and alloys. Early experiments in nucleation kinetics were accomplished by droplet dispersion methods [1-6]. Dilitometry was used by Turnbull and others, and more recently differential thermal analysis and differential scanning calorimetry have been used for kinetic studies. These techniques have enjoyed success; however, there are difficulties with these experiments. Since materials are dispersed in a medium, the character of the emulsion/metal interface affects the nucleation behavior. Statistics are derived from the large number of particles observed in a single experiment, but dispersions have a finite size distribution which adds to the uncertainty of the kinetic determinations. Even though temperature can be controlled quite well before the onset of nucleation, the release of the latent heat of fusion during nucleation of particles complicates the assumption of isothermality during these experiments. Containerless processing has enabled another approach to the study of nucleation kinetics [7]. With levitation techniques it is possible to undercool one sample to nucleation repeatedly in a controlled manner, such that the statistics of the nucleation process can be derived from multiple experiments on a single sample. The authors have fully developed the analysis of nucleation experiments on single samples following the suggestions of Skripov [8]. The advantage of these experiments is that the samples are directly observable. The nucleation temperature can be measured by noncontact optical pyrometry, the mass of the sample is known, and post processing analysis can be conducted on the sample. The disadvantages are that temperature measurement must have exceptionally high precision, and it is not possible to isolate specific heterogeneous sites as in droplet dispersions.

Bayuzick, Robert J.↗