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At least 217 records · Page 12

Theoretical Study of the Electric Dipole Moment Function of the CIO Molecule

The potential energy function and electric dipole moment function (EDMF) are computed for CIO Chi(sup 2)Pi using several different techniques to include electron correlation. The EDMF is used to compute Einstein coefficients, vibrational lifetimes, and dipole moments in higher vibrational levels. Remaining questions concerning the position of the maximum of the EDMF may be resolved through experimental measurement of dipole moments of higher vibrational levels. The band strength of the 1-0 fundamental transition is computed to be 12 +/- 2 /sq cm atm in good agreement with three experimental values, but larger than a recent value of 5 /sq cm atm determined from infrared heterodyne spectroscopy. The theoretical methods used include SCF, CASSCF, multireference singles plus doubles configuration interaction (MRCI) and contracted CI, coupled pair functional (CPF), and a modified version of the CPF method. The results obtained using the different methods are critically compared.

Pettersson, Lars G. M.↗

Repeatability and Reproducibility of Compression Strength Measurements Conducted According to ASTM E9

Ten commercial laboratories participated in an interlaboratory study to establish the repeatability and reproducibility of compression strength tests conducted according to ASTM International Standard Test Method E9. The test employed a cylindrical aluminum AA2024-T351 test specimen. Participants measured elastic modulus and 0.2 % offset yield strength, YS(0.2 % offset), using an extensometer attached to the specimen. The repeatability and reproducibility of the yield strength measurement, expressed as coefficient of variations were cv(sub r)= 0.011 and cv(sub R)= 0.020 The reproducibility of the test across the laboratories was among the best that has been reported for uniaxial tests. The reported data indicated that using diametrically opposed extensometers, instead of a single extensometer doubled the precision of the test method. Laboratories that did not lubricate the ends of the specimen measured yield stresses and elastic moduli that were smaller than those measured in laboratories that lubricated the specimen ends. A finite element analysis of the test specimen deformation for frictionless and perfect friction could not explain the discrepancy, however. The modulus measured from stress-strain data were reanalyzed using a technique that finds the optimal fit range, and applies several quality checks to the data. The error in modulus measurements from stress-strain curves generally increased as the fit range decreased to less than 40 % of the stress range.

Luecke, William E.↗

Theoretical prediction of erosive burning characteristics of solid rocket propellant based on burning rate dependence of pressure and initial temperature and its energetic characteristics

New theoretical method for prediction of erosive burning characteristics of solid propellant, using known ballistic and thermodynamic data only, is presented. Method is based on modified Lenoir-Robillard formula, and is applicable for composite and double base propellants, with or without negative erosion effect. Method is confirmed using experimental data of numerous authors.

Jojic, B.↗

A direct gravitational lensing test for 10 exp 6 solar masses black holes in halos of galaxies

We propose a method that will be able to detect or exclude the existence of 10 exp 6 solar masses black holes in the halos of galaxies. VLBA radio maps of two milliarcsecond jets of a gravitationally lensed quasar will show the signature of these black holes - if they exist. If there are no compact objects in this mass range along the line of sight, the two jets should be linear mappings of each other. If they are not, there must be compact objects of about 10 exp 6 solar masses in the halo of the galaxy that deform the images by gravitational deflection. We present numerical simulations for the two jets A and B of the double quasar 0957 + 561, but the method is valid for any gravitationally lensed quasar with structure on milliarcsecond scales. As a by-product from high-quality VLBA maps of jets A and B, one will be able to tell which features in the maps are intrinsic in the original jet and which are only an optical illusion, i.e., gravitational distortions by black holes along the line of sight.

Wambsganss, Joachim↗

Efficient Credit Assignment through Evaluation Function Decomposition

Evolutionary methods are powerful tools in discovering solutions for difficult continuous tasks. When such a solution is encoded over multiple genes, a genetic algorithm faces the difficult credit assignment problem of evaluating how a single gene in a chromosome contributes to the full solution. Typically a single evaluation function is used for the entire chromosome, implicitly giving each gene in the chromosome the same evaluation. This method is inefficient because a gene will get credit for the contribution of all the other genes as well. Accurately measuring the fitness of individual genes in such a large search space requires many trials. This paper instead proposes turning this single complex search problem into a multi-agent search problem, where each agent has the simpler task of discovering a suitable gene. Gene-specific evaluation functions can then be created that have better theoretical properties than a single evaluation function over all genes. This method is tested in the difficult double-pole balancing problem, showing that agents using gene-specific evaluation functions can create a successful control policy in 20 percent fewer trials than the best existing genetic algorithms. The method is extended to more distributed problems, achieving 95 percent performance gains over tradition methods in the multi-rover domain.

Agogino, Adrian↗

A viscous/potential flow interaction analysis method for multi-element infinite swept wings, volume 1

An analysis method and computer program have been developed for the calculation of the viscosity dependent aerodynamic characteristics of multi-element infinite swept wings in incompressible flow. The wing configuration consisting at the most of a slat, a main element and double slotted flap is represented in the method by a large number of panels. The inviscid pressure distribution about a given configuration in the normal chord direction is determined using a two dimensional potential flow program employing a vortex lattice technique. The boundary layer development over each individual element of the high lift configuration is determined using either integral or finite difference boundary layer techniques. A source distribution is then determined as a function of the calculated boundary layer displacement thickness and pressure distributions. This source distribution is included in the second calculation of the potential flow about the configuration. Once the solution has converged (usually after 2-5 iterations between the potential flow and boundary layer calculations) lift, drag, and pitching moments can be determined as functions of Reynolds number.

Dvorak, F. A.↗

The effect of multiple encounters on short period comet orbits

The observed orbital elements of short period comets are found to be consistent with the hypothesis of derivation from long period comets as long as two assumptions are made. First, the distribution of short period comets has been randomized by multiple encounters with Jupiter and second, the short period comets have lower velocities of encounter with Jupiter than is generally expected. Some 16% of the observed short period comets have lower encounter velocities than is allowed mathematically using Laplace's method. This may be due to double encounter processes with Jupiter and Saturn, or as a result of prolonged encounters. The distribution of unobservable short period comets can be inferred in part from the observed comets. Many have orbits between Jupiter and Saturn with somewhat higher inclinations than those with perihelions near the earth. Debris from those comets may form the major component of the zodiacal dust.

Lowrey, B. E.↗

Measurement of fluid properties using rapid-double-exposure and time-average holographic interferometry

The holographic recording of the time history of a flow feature in three dimensions is discussed. The use of diffuse illumination holographic interferometry or the three dimensional visualization of flow features such as shock waves and turbulent eddies is described. The double-exposure and time-average methods are compared using the characteristic function and the results from a flow simulator. A time history requires a large hologram recording rate. Results of holographic cinematography of the shock waves in a flutter cascade are presented as an example. Future directions of this effort, including the availability and development of suitable lasers, are discussed.

Decker, A. J.↗

Measurement of fluid properties using rapid-double-exposure and time-average holographic interferometry

The holographic recording of the time history of a flow feature in three dimensions is discussed. The use of diffuse illumination holographic interferometry or the three-dimensional visualization of flow features such as shock waves and turbulent eddies is described. The double-exposure and time-average methods are compared using the characteristic function and the results from a flow simulator. A time history requires a large hologram recording rate. Results of holographic cinematography of the shock waves in a flutter cascade are presented as an example. Future directions of this effort, including the availability and development of suitable lasers, are discussed. Previously announced in STAR as N84-21849

Decker, A. J.↗

Stratospheric conductivity variations over thunderstorms

This paper reports the first in-situ observation of variations in the electrical conductivity over thunderstorms at 26 km altitude. The vector electric field, positive and negative polar conductivity, and optical lightning power/flash were measured by payloads on superpressure balloons in the Southern Hemisphere in early 1984. It is found that in 72 percent of the thunderstorm periods observed (or in 23 of 32 periods) there were clear cases of conductivity variations while the balloons were over the thunderstorms. Examples from two separate balloons at widely separated dates and locations showing both daytime and nighttime events are presented. The conductivity measurements are made with the relaxation technique, and the vector field measurements are based on the double Langmuir probe high-impedance method. It is found that the positive and negative conductivity measurements vary independently and have a different temporal profile than the dc electric field. The polar conductivity variations can exceed a factor of 2 at this altitude. In seven of the nine most intense thunderstorm events the total conductivity increased, while in only one of these nine events did it decrease (one event had no change). Implications of these observations for global current patterns are discussed.

Holzworth, R. H.↗

Crack growth in single-crystal silicon

Crack growth in single-crystal silicon at room temperature in air was evaluated by double torsion (DT) load-relaxation method and monitored by acoustic emission (AE) technique. Both DT and AE methods indicated lack of subcritical crack growth in silicon. At the critical stress intensity factor, the crack front was found to be jumping several times in a 'mirror' region and then followed by fast crack growth in a 'hackle' region. Hackle marks were found to be associated with plastic deformation at the tip of the fast moving crack. No dislocation etch pits were found in the 'mirror' region, in which crack growth may result from interatomic bonds broken at the crack tip under stress without any plastic deformation. Acoustic emission appears to be spontaneously generated from both interatomic bonds broken and dislocation generation at the moving crack tip during the crack growth in single-crystal silicon.

Chen, C. P.↗

Thunderstorm related variations in stratospheric conductivity measurements

The vector electric field and polar conductivities were measured by zero-pressure balloon-borne payloads launched from Wallops Island, Virgina during the summers of 1987 and 1988. Data were collected over thunderstorms (or electrified clouds) during 6-hour flights at altitudes near 30 km. The vector electric field measurements were made with the double Langmuir probe high-impedance method, and the direct conductivity measurements were obtained with the relaxation technique. Evidence is presented for conductivity variations over thunderstorms (or electrified clouds). It is found that both positive and negative polar conductivity data do show variations of up to a factor of 2 from ambient values associated with the disturbed periods. Some ideas for possible physical mechanisms which may be responsible for the conductivity variations over thunderstorms are also discussed in this paper.

Hu, Hua↗

Trajectory optimization based on differential inclusion

A method for generating finite-dimensional approximations to the solutions of optimal control problems is introduced. By employing a description of the dynamical system in terms of its attainable sets in favor of using differential equations, the controls are completely eliminated from the system model. Besides reducing the dimensionality of the discretized problem compared to state-of-the-art collocation methods, this approach also alleviates the search for initial guesses from where standard gradient search methods are able to converge. The mechanics of the new method are illustrated on a simple double integrator problem. The performance of the new algorithm is demonstrated on a 1-D rocket ascent problem ('Goddard Problem') in presence of a dynamic pressure constraint.

Seywald, Hans↗

Trajectory optimization based on differential inclusion

A method for generating finite-dimensional approximations to the solutions of optimal control problems is introduced. By employing a description of the dynamical system in terms of its attainable sets in favor of using differential equations, the controls are completely eliminated from the system model. Besides reducing the dimensionality of the discretized problem compared to state-of-the-art collocation methods, this approach also alleviates the search for initial guesses from where standard gradient search methods are able to converge. The mechanics of the new method are illustrated on a simple double integrator problem. The performance of the new algorithm is demonstrated on a I-D rocket ascent problem ('Goddard Problem') in presence of a dynamic pressure constraint.

Seywald, Hans↗

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Lee, Timothy J.↗

Ab initio characterization of ClOOH - Implications for atmospheric chemistry

The equilibrium structure, dipole moment, harmonic vibrational frequencies, and infrared intensities of ClOOH are determined using the CCSD(T) (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) electronic structure method in conjunction with a TZ2P (triple xi plus double polarization) basis set. The heat of formation of CIOOH is determined (using two different isodesmic reactions) to be +1.5 +/- 1 kcal/mol at 0 K or +0.2 +/- 1 kcal/mol at 298.15 K. Using the computed heat of formation, we examined the stability of ClOOH with respect to the ClO + OH, ClOO + H, and HOO + Cl dissociation limits. Since ClOOH is found to be quite stable, it is argued that the chemistry of ClOOH should be included in any accurate modeling of the stratosphere.

Lee, Timothy J.↗