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At least 739 records · Page 41

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

The application of ab initio quantum mechanical approaches in the study of metal atom clusters requires simplifying techniques that do not compromise the reliability of the calculations. Various aspects of the implementation of the effective core potential (ECP) technique for the removal of the metal atom core electrons from the calculation were examined. The ECP molecular integral formulae were modified to bring out the shell characteristics as a first step towards fulfilling the increasing need to speed up the computation of the ECP integrals. Work on the relationships among the derivatives of the molecular integrals that extends some of the techniques pioneered by Komornicki for the calculation of the gradients of the electronic energy was completed and a formulation of the ECP approach that quite naturally unifies the various state-of-the-art "shape- and Hamiltonian-consistent" techniques was discovered.

Kahn, L. R.↗

Molecular cloud evolution and star formation

The present state of knowledge of the relationship between molecular clouds and young stars is reviewed. The determination of physical parameters from molecular line observations is summarized, and evidence for fragmentation of molecular clouds is discussed. Hierarchical fragmentation is reviewed, minimum fragment scales are derived, and the stability against fragmentation of both spherically and anisotropically collapsing clouds is discussed. Observational evidence for high-velocity flows in clouds is summarized, and the effects of winds from pre-main sequence stars on molecular gas are discussed. The triggering of cloud collapse by enhanced pressure is addressed, as is the formation of dense shells by spherical outflows and their subsequent breakup. A model for low-mass star formation is presented, and constraints on star formation from the initial mass function are examined. The properties of giant molecular clouds and massive star formation are described. The implications of magnetic fields for cloud evolution and star formation are addressed.

Silk, J.↗

Investigation of Sooting in Microgravity Droplet Combustion: Fuel-Dependent Effects

Kumagai and coworkers first performed microgravity droplet combustion experiments [Kumagai, 1957]. The primary goal of these early experiments were to validate simple 'd(sup 2)-law models [Spalding, 1954, Godsave, 1954] Inherent in the 'd(sup 2) -law' formulation and in the scope of the experimental observation is the neglect of sooting behavior. In fact, the influence of sooting has not received much attention until more recent works [Choi et al., 1990; Jackson et al., 1991; Jackson and Avedisian, 1994; Choi and Lee, 1996; Jackson and Avedisian, 1996; Lee et al., 1998]:. Choi and Lee measured soot volume fraction for microgravity droplet flames using full-field light extinction and subsequent tomographic inversion [Choi and Lee, 1996]. In this investigation, soot concentrations were measured for heptane droplets and it was reported that soot concentrations were considerably higher in microgravity compared to the normal gravity flame. It was reasoned that the absence of buoyancy and the effects of thermophoresis resulted in the higher soot concentrations. Lee et al. [1998] performed soot measurement experiments by varying the initial droplet diameter and found marked influence of sooting on the droplet burning behavior. There is growing sentiment that sooting in droplet combustion must no longer be neglected and that "perhaps one of the most important outstanding contributions of (micro)g droplet combustion is the observation that in the absence of asymmetrical forced and natural convection, a soot shell is formed between the droplet surface and the flame, exerting an influence on the droplet combustion response far greater than previously recognized." [Law and Faeth, 1994]. One of the methods that we are exploring to control the degree of sooting in microgravity is to use different fuels. The effect of fuel structure on sooting propensity has been investigated for over-ventilated concentric coflowing buoyant diffusion flames. (Glassman, 1996]. In these investigations, the fuel flowrate was increased until smoke was observed to escape from the "luminous visible flame" [Glassman, 1996]. A total of 29 fuels were used in order to characterize relative sooting propensity. The sooting propensity of a particular fuel was assessed by comparing the flowrates for soot emission from the tip of the flame. It was reported that the sooting tendency for diffusion flames increased for fuels with higher rates of pyrolysis. Randolph and Law [1986 and not 1994] also examined the effect of fuel structure on droplet sooting behavior. In their experiments the droplets were separated from the bulk gas stream and quenched with nitrogen prior to gravimetric measurements. A variety of fuels were studied, namely aromatics, phenyl-alkanes and alkanes. The results were in qualitative agreement with the work of Glassman [1986]. Vander Wal et al. [1994] performed relative soot concentration measurements using laser-induced incandescence for heptane and decane fuel droplets burning under normal-gravity conditions. It was found that soot volume fractions for decane was more than a factor of two larger than that for heptane. Although the normal-gravity investigations have provided some important insights regarding the influence of fuel structure on the sooting behavior of droplet flames, results cannot be easily extrapolated for microgravity studies since increased residence times and thermophoretic effects must be considered in greater detail. Several studies have compared sooting behavior of different fuel droplets burning under microgravity conditions [Card and Choi, 1990; Jackson et al., 1991; Jackson and Avedisian, 1994], however, detailed quantitative results were not provided. In all of these previous studies, the degree of sooting was only visually assessed from an incandescent backlighted image of the soot containing region. Such techniques can provide misleading results regarding sooting behavior [Choi, 1996].

Manzello, Samuel L.↗

Nonlinear magnetohydrodynamic waves in a steady zonal circulation for a shallow fluid shell on the surface of a rotating sphere

This paper considers two-dimensional nonlinear MHD waves of large horizontal spatial scales for a thin magnetofluid layer on the surface of a rotating sphere. The 'shallow fluid' hydrodynamic equations are generalized to include the effects of magnetic fields, and it is shown that the resulting MHD equations can be reduced to a single scalar equation for a stream function involving several free functions. For special choices of these free functions, two kinds of finite-amplitude MHD waves are obtained, propagating in the azimuthal direction relative to the uniformly rotating background atmosphere in the presence of a background zonal magnetic field and a steady differential zonal flow. These two kinds of MHD waves are fundamentally due to the joint effects of the uniform rotation of the background atmosphere and background magnetic field; the first is an inertial wave of the Rossby (1939) and Haurwitz (1940) type, modified by the presence of the background zonal magnetic field, while the second is a magnetic Alfven-like wave which is modified by the uniform rotation of the background atmosphere.

Lou, Y. Q.↗

Automated Predictive Diagnosis (APD): A 3-tiered shell for building expert systems for automated predictions and decision making

The APD software features include: On-line help, Three level architecture, (Logic environments, Setup/Application environment, Data environment), Explanation capability, and File handling. The kinds of experimentation and record keeping that leads to effective expert systems is facilitated by: (1) a library of inferencing modules (in the logic environment); (2) an explanation capability which reveals logic strategies to users; (3) automated file naming conventions; (4) an information retrieval system; and (5) on-line help. These aid with effective use of knowledge, debugging and experimentation. Since the APD software anticipates the logical rules becoming complicated, it is embedded in a production system language (CLIPS) to insure the full power of the production system paradigm of CLIPS and availability of the procedural language C. The development is discussed of the APD software and three example applications: toy, experimental, and operational prototype for submarine maintenance predictions.

Steib, Michael↗

Theory of anisotropic thin-walled closed-section beams with hygrothermal effects

A variationally consistent theory is developed in order to derive the governing equations of anisotropic thin-walled beams with closed sections subjected to axial load, torsion, bending and hygrothermal loads. The theory is based on an asymptotical analysis of two-dimensional shell theory. Closed-form expressions for the beam stiffness coefficients, equivalent hygrothermal loads, stress and displacement fields are provided. The influence of material anisotropy and hygrothermal coefficients on the displacement field is identified. The analysis is applied to predict the response of composite beams under thermomechanical loading.

Badir, Ashraf M.↗

Computer program for analysis of imperfection sensitivity of ring stiffened shells of revolution

A FORTRAN 4 digital computer program is presented for the initial postbuckling and imperfection sensitivity analysis of bifurcation buckling modes for ring-stiffened orthotropic multilayered shells of revolution. The boundary value problem for the second-order contribution to the buckled state was solved by the forward integration technique using the Runge-Kutta method. The effects of nonlinear prebuckling states and live pressure loadings are included.

Cohen, G. A.↗

Evaluation of epoxy systems for use in SBASI

The purpose of the test program was to evaluate the performance of different epoxy systems as replacements for existing epoxy systems in the SBASI. The three areas of investigation were the connector shell potting, the epoxy tape under the charge cup, and the epoxy impregnated fiberglass over the output charge. Factors considered, in addition to performance, were availability, shelf life, pot life, and effect on producibility and cost.

Coultas, T. J.↗

Shell splitting due to electric fields.

Drift shells of trapped particles starting from a single field line in the earth's magnetic field may become separated owing to an electric field. By using the formalism of the shell-splitting function, this separation is calculated for an arbitrary curl-free time-independent electric field satisfying E.B = 0, with no limitation on the particle's longitudinal excursion. The effect of nondipole field components is also taken into account to the lowest order.

Stern, D. P.↗

Ring and plasma - The enigmae of Enceladus

The E ring associated with the Kronian moon Enceladus has a lifetime of only a few thousand years against sputtering by slow corotating O ions. The existence of the ring implies the necessity for a continuous supply of matter. Possible particle source mechanisms on Enceladus include meteoroidal impact ejection and geysering. Estimates of ejection rates of particulate debris following small meteoroid impact are on the order of 3 x 10 to the -18th g/(sq cm sec), more than an order of magnitude too small to sustain the ring. A geyser source would need to generate a droplet supply at a rate of approximately 10 to the -16th g/(sq cm sec) in order to account for a stable ring. Enceladus and the ring particles also directly supply both plasma and vapor to space via sputtering. The absence of a 60 eV plasma at the Voyager 2 Enceladus L-shell crossing, such as might have been expected from sputtering, cannot be explained by absorption and moderation of plasma ions by ring particles, because the ring is too diffuse. Evidently, the effective sputtering yield in the vicinity of Enceladus is on the order of, or smaller than, 0.4, about an order of magnitude less than te calculated value. Small scale surface roughness may account for some of this discrepancy.

Haff, P. K.↗

A study of internal and distributed damping for vibrating turbomachiner blades

Internal and distributed damping as possible methods for reducing the vibration response of turbomachine blades and theoretical methods for analyzing damped vibration were studied. It is demonstrated how the Ritz-Galerkin methods may be used to straightforwardly to analyze forced vibrations with damping. This is done directly without requiring the free vibration eigenfunctions. The Galerkin method is an effective technique for these types of problems. The Ritz method has the further advantage of not needing to satisfy the force type boundary conditions, which is particularly important for plates and shells. But proper functionals representing the forcing and damping terms must be developed, and this is done. Two types of damping--viscous and material (hysteretic) are considered. Both distributed and concentrated exciting forces are treated. Numerical results are obtained for cantilevered beams and rectangular plates. Studies showing the rates of convergence of the solutions are made. In the case of the cantilever beam, approximate solutions from the present methods are compared with the exact solutions.

Leissa, A. W.↗

Characterization of the microstructure of Nb-1wt.%Zr-0.1wt.%C tubes as affected by thermomechanical processing

Microstructure of Nb-1Zr-0.1C tubes were characterized as affected by extrusion temperature of the tube shell and its thermomechanical processing to tubing. Two tube shells of about 40-mm outside diameter (OD) and 25-mm inside diameter (ID) were extruded 8:1 from a vacuum arc-melted ingot at 1900 and 1550 K. Two different OD tubes of approximately 0.36-mm wall thickness were fabricated from each tube shell by a series of 26 cold drawing operations with two in process anneals. The microstructure of tube shells and the tubing before and after a 2-step heat treatment were characterized. Residue extracted chemically from each sample was also analyzed to identify the precipitates. The results concerning the effect of the initial extrusion temperature and subsequent processing on the microstructure of the tubes are presented together with a review of results from similar work on Nb-1Zr-0.1C sheet stock.

Uz, Mehmet↗

Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of Powder Diffractometry

Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals is introduced which is based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the "apparent lattice parameter", alp). We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface is discussed. This is based on the dependence of the alp values oil the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results support well the concept of the two-phase structure of nanocrystalline diamond.

Palosz, B.↗

Computer Aided Modeling to Determine the Effectiveness of Resistive Exercises as Countermeasures for Bone Mineral Density Loss

Due to the loss of gravitational loading, astronauts have a tendency to lose bone mineral density in their lumbar spine and lower extremities on orbit. NASA requires astronauts to perform exercises during space flight to help reduce the amount of demineralization. To test these exercises on earth, 17 week bed rest studies are conducted that consist of specific diet and exercise regimes. Developing a finite element model of these exercises will help to quantify the stress distribution imposed by of each of these exercises. To help develop this model, MRI images are acquired from individuals participating in the bed rest studies. The MRIs can be used to create a subject specific model of each individual for testing. The MRIs are processed in the Magnetic Resonance Imaging Data Transfer System program to develop a three-dimensional finite element model of the femur for evaluation. Modifications were made to the MRIDTS that simplified the model creation process. These modifications made it possible to construct two separate models of different portions of a bone simultaneously and then later connect them manually. This helped alleviate the warping problem associated with the drastic changes in geometry found in some body parts, such as the joints. The code was also modified to incorporate material properties of various bone components into the model. Interior meshing was also incorporated into the program to allow for both the cortical shell and the entire bone to be modeled. A prototype model of the right femur of an adult female is being constructed and tested to determine the feasibility of finite element analysis as a tool for evaluating exercise effectiveness. The model is being run through the ANSYS finite element program on the Alabama Super Computer Network. After the model is validated, models of bedrest subjects can be generated to investigate exercise countermeasures.

Murphy, Benjamin M.↗

DESIGN AND TESTING OF HONEYCOMB SANDWICH CYLINDERS UNDER AXIAL COMPRESSION

Experimental results for 36" diameter honeycomb cylinders fabricated with thin (0.010") aluminum faces and cores prove that it is quite feasible to stabilize thin faces so they can be loaded Beyond the yield point. The effect of initial imperfections and the various modes of failure are discussed.

AXIAL COMPRESSION↗

ELASTIC STABILITY OF SIMPLY SUPPORTED CORRUGATED CORE SANDWICH CYLINDERS

Theoretical buckling coefficients are obtained for the general instability of simply supported, corrugated core sandwich circular cylinders under combined loads with the core oriented parallel to the longitudinal axis of the cylinder. Buckling curves are presented for axial compression, external lateral pressure, torsion, and some typical interactions. The differential equations of equilibrium used to obtain the buckling equations were derived from the small deflection equations of Stein and Mayer which include the effect of deformation due to transverse shear. These equations are solved by Galerkin's equation. Remarks are made concerning the probable validity of the results of the small deflection theory for sandwich shells.

SHELL STABILITY↗

A theoretical analysis of the free vibrations of ring- and/or stringer-stiffened elliptical cylinders with arbitrary end conditions. Volume 1: Analytical derivation and applications

The derivation and application of a Rayleigh-Ritz modal vibration analysis are presented for ring and/or stringer stiffened noncircular cylindrical shells with arbitrary end conditions. Comparisons with previous results from experimental and analytical studies showed this method of analysis to be accurate for a variety of end conditions. Results indicate a greater effect of rings on natural frequencies than of stringers.

Boyd, D. E.↗

Reducing the non-axisymmetry of a planetary dynamo and an application to Saturn

A simple model for the tendency toward axisymmetrization observed in planets is developed. The model is presented in general but linear form, assuming that the differentially rotating fluid is thin, which means that Lorentz forces or Ohmic dissipation are neglected. Two cases are considered: uniform shear throughout the shell and shear concentrated within a very thin boundary layer. In each case, explicit expressions are obtained for the spatial attenuation of the non-spin-axisymmetric field components. The substantial nonlinear effects which prevent these results from being directly applicable to planets are discussed, with particular emphasis on the Taylor constraint. The model is applied to Saturn and found to give a satisfactory semiquantitative explanation for the near-axisymmetry of the field. The parameter choices required to reproduce the observed tilt are entirely reasonable and potentially testable. The model explains why Jupiter and Saturn are so different.

Stevenson, D. J.↗