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At least 613 records · Page 34

Theoretical study of Cr(+) and Co(+) bound to H2 and N2

Binding energies of Co(H2)n(+) (n = 1-3) and CrN2(+) computed using the modified coupled-pair functional approach agree well with measured values. The calculations show that both H2 and N2 bond much more strongly to Co(+) than to Cr(+). Theoretical studies also show that despite the similar polarizabilities of N2 and Ar, the CrN2(+) binding energy is twice as large as that of CrAr(+) due to the charge-quadrupole contribution. Finally, the bonding of H2 and N2 with Na(+) and Mg(+) is contrasted with that for Cr(+) and Co(+).

Bauschlicher, Charles W., Jr.↗

Rapid torque-bounded line-of-sight pointing of SCOLE with a designer's choice of initial alignment

Researchers simplified the analytical expression of the line of sight (LOS) error, discovered and proved the independence of Euler angle Psi, calculated attitude angles corresponding to 0 degrees and 20 degrees LOS errors, determined choices of initial alignment, tailored the slew maneuvers for LOS pointing, simulated numerically the LOS pointing slew of the Spacecraft Control Laboratory Experiment (SCOLE), and evaluated the pointing performance.

Lin, Jiguan Gene↗

Rapid single-axis torque-bounded slewing of SCOLE configuration

The first general research objective was to address control design challenges of the Spacecraft Control Laboratory Experiment (SCOLE) via the two stage approach: (1) slew the whole as if it were a rigid body about one Space Shuttle body axis each time using the onboard Reaction Control System (RCS) thrusters; and (2) damp out excited vibrations. The second objective was to examine the feasibility of applying the approach to shuttle-attached flexible space structures. The following was accomplished: (1) a standard bang-bang control technique was adapted; (2) a slew rate limit was imposed in the design; and (3) slew acceleration deviation was defined as the index of slew performance degradation.

Lin, Jiguan Gene↗

A rapid-distortion-theory turbulence model for developed unsteady wall-bounded flow

A new approach to turbulence modeling in unsteady developed flows has recently been introduced, based on results of rapid distortion theory. The approach involves closing the k-epsilon equations for the organized unsteady component of the flow by modeling local unsteadiness as a rapid distortion of the local structure of the parent turbulent flow, in terms of an effective strain parameter alpha(sub eff). In this paper, the phase-conditioned equations of motion are developed to accommodate a new unsteady dissipation model and local effects of the slow-relaxation time scale of the parent flow. The model equations are tested against measurements of the response of a fully-developed turbulent pipe flow to the superposition of sinusoidal streamwise oscillation. Good agreement is found between measurements and predictions over a wide range of frequencies of unsteadiness, indicating that this approach may be particularly well suited to modeling of unsteady turbulent flows which are perturbations about a well characterized mean.

Brereton, G. J.↗

Engineering approach to the prediction of shock patterns in bounded high-speed flows

A two-dimensional symmetric wedge configuration representative of a single high-speed intake in steady flow was investigated. The analysis presented here is intended as an engineering approach for estimating certain features of the internal shock system. The primary interest here is the prediction of the size and location of the almost-normal shock wave that develops when the leading-edge shocks intersect at angles above a certain critical value that is less than the wedge detachment angle. The almost-normal shock wave is frequently referred to as the 'Mach stem', Parametric studies enabled the sensitivity of the Mach stem height to various flowfield parameters to be examined, thus indicating how accurately these parameters must be measured in a given experiment. Results of these predictions were compared with those of a steady-flow experiment performed at nominal freestream Mach numbers from 2.8 to 5. The predicted stem heights were consistently lower than the mean experimental values, attributable both to experimental uncertainties and to certain simplifying assumptions used in the analysis. Modification of these assumptions to better represent the test environment improved the analytical results.

Azevedo, D. J.↗

Confidence bounds on structural reliability

Different approaches for quantifying physical, statistical, and model uncertainties associated with the distribution parameters which are aimed at determining structural reliability are described. Confidence intervals on the distribution parameters of the input random variables are estimated using four algorithms to evaluate uncertainty of the response. Design intervals are evaluated using either Monte Carlo simulation or an iterative approach. A first order approach can be used to compute a first approximation of the design interval, but its accuracy is not satisfactory. The regression approach which combines the iterative approach with Monte Carlo simulation is capable of providing good results if the performance function can be accurately represented using regression analysis. It is concluded that the design interval-based approach seems to be quite general and takes into account distribution and model uncertainties.

Mehta, S. R.↗

Theoretical study of metal ions bound to He, Ne, and Ar

Accurate ab initio calculations for all of the first-row transition-metal ions with He, Ne, and Ar were performed at the modified coupled-pair functional level of electron correlation treatment. It is concluded that there is a strong correlation between the binding energy and bond length, since the bonding is predominantly electrostatic. The calculated binding energies are found to be about 20 pct less than the experimental values due to the theoretical limitations.

Partridge, Harry↗

Aluminum acceptor four particle bound exciton complex in 4H, 6H, and 3C SiC

Evidence is presented for a four particle acceptor complex in 3C, 6H, and 4H SiC, obtained in low-temperature photoluminescence and cathodoluminescence experiments. The new lines were observed in p-type films lightly doped with aluminum, of 6H, 4H, and 3C SiC grown on the silicon (0001) face of 6H SiC under special conditions. The lines increase in intensity as more aluminum is added during growth. The multiplicity of observed lines is consistent with symmetry-based models similar to those which have been proposed to describe 4A centers in p-type zincblende semiconductors.

Clemen, L. L.↗

Investigation of supersonic modes and three-dimensionality in bounded, free shear flows

It is found through two-dimensional temporal simulations of high-speed free shear layers that mean flow distortion is significantly increased when supersonic disturbances are introduced as initial conditions. The shear layer exhibits no subharmonic growth or roll-up, but rather a spectral broadening as energy is distributed into higher harmonics. Increasing the velocity of one side of the mixing layer (u2) to roughly 1/5 the speed of the high speed side (u1), allows a slight subharmonic growth at a very slow rate for two-dimensional modes. A first look at three-dimensional free shear flows is also presented for M = 2. No effect is seen for incompressible flow; however, stabilization is seen with respect to maximum temporal growth rates as the transverse velocity is increased. A much stronger, but similar effect is seen if u2 is increased. The wave direction of maximum growth for u2 is greater than 0.4 is found to be the direction of the faster stream (u1) over a broad range of transverse velocities.

Macaraeg, Michele G.↗

Direct simulations of compressible wall-bounded turbulence

Several direct numerical simulations of high-speed turbulent Couette flow were performed with a new spectral code. Mach numbers up to three and a Reynolds number of 3000 were used. A new time-integration scheme was developed to handle Mach numbers above 1.5, which require greater accuracy and stability than lower Mach numbers. At low Mach number, the large streamwise eddies found by M. J. Lee in high incompressible Couette flow simulations were reproduced. At higher Mach numbers these structures still exist, but they become considerably less organized (although the disorganization may be a function of the spanwise box size). While the same types of vortical structures seen in the incompressible flow are observed at higher Mach numbers, a new structure involving the divergence of the velocity is also observed. This structure is generally associated with low shear areas next to the walls, but it has not been determined whether it is a cause or an effect of the low shear. A 'nonphysical' simulation was performed to determine by what mechanism the Mach number affects the flow. It appears that pressure gradient (acoustic) effects are more important than variable viscosity effects in determining the wall shear, but the size of vortical structures is determined more by the local kinematic viscosity. Low-order mean statistics are provided to help quantify these effects.

Buell, Jeffrey C.↗

Pressure Distributions About Finite Wedges in Bounded and Unbounded Subsonic Streams

An analytical investigation of incompressible flow about wedges was made to determine effects of tunnel-wedge ratio and wedge angle on the wedge pressure distributions. The region of applicability of infinite wedge-type velocity distribution was examined for finite wedges. Theoretical and experimental pressure coefficients for various tunnel-wedge ratios, wedge angles, and subsonic Mach numbers were compared.

FLOW, LAMINAR↗

Reynolds stress closure modeling in wall-bounded flows

This report describes two projects. Firstly, a Reynolds stress closure for near-wall turbulence is described. It was motivated by the simpler k-epsilon-(v-bar(exp 2)) model described in last year's annual research brief. Direct Numerical Simulation of three-dimensional channel flow shows a curious decrease of the turbulent kinetic energy. The second topic of this report is a model which reproduces this effect. That model is described and used to discuss the relevance of the three dimensional channel flow simulation to swept wing boundary layers.

Durbin, Paul A.↗

Unstructured grid large eddy simulation of wall bounded turbulent flows

Historically, large eddy simulations (LES) have been restricted to simple geometries where spectral or finite difference methods have dominated due to their efficient use of structured grids. Structured grids, however, not only have difficulty representing complex domains and adapting to complicated flow features, but also are rather inefficient for simulating flows at high Reynolds numbers. The lack of efficiency stems from the need to resolve the viscous sub layer which requires very fine resolution in all three directions near the wall. Structured grids make use of a stretching to reduce the normal grid spacing but must carry the fine resolution in the streamwise and spanwise directions throughout the domain. The unnecessarily fine grid for much of the domain leads to disturbingly high grid estimates. Chapman (1979), and later Moin & Jimenez (1993), pointed out that, in order to advance the technology to airfoils at flight Reynolds numbers, structured grids must be abandoned in lieu of what are known as nested or unstructured grids. We illustrate the ability of an unstructured mesh to refine only the near wall region. Note the large number of points near the wall (where the fine vortical features need better resolution) and the coarseness in all directions away from the wall (where the scales are much larger). The important difference between this approach and the usual structured grid stretching is that the number of elements used to discretize the spanwise and streamwise features of the flow is reduced in each successive layer coming off the wall. This is due to the fact that the elements not only grow in the normal direction, but in the other directions as well. This greatly reduces the total number of points or elements required for a given Reynolds number flow.

Jansen, Kenneth↗

On streak spacing in wall-bounded turbulent flows

The present study is a continuation of the examination by Hamilton et al. of the regeneration mechanisms of near-wall turbulence and an attempt to investigate the conjecture of Waleffe et al. The basis of this study is an extension of the 'minimal channel' approach of Jimenez and Moin that emphasizes the near-wall region and reduces the complexity of the turbulent flow by considering a plane Couette flow of near minimum Reynolds number and stream-wise and span-wise extent. Reduction of the flow Reynolds number to the minimum value which will allow turbulence to be sustained has the effect of reducing the ratio of the largest scales to the smallest scales or, equivalently, of causing the near-wall region to fill more of the area between the channel walls. A plane Couette flow was chosen for study since this type of flow has a mean shear of a single sign, and at low Reynolds numbers, the two wall regions are found to share a single set of structures.

Hamilton, James M.↗

Proton affinity determinations and proton-bound dimer structure indications in C2 to C15, (alpha),(omega)-alkyldiamines

The 'kinetic method' was used to determine the proton affinity (PA) of a,coalkyldiamines from collision induced dissociation (CID) studies of protonated heterodimers. These PA values were consistently lower than those reported in the proton affinity scale. The apparent discrepancy was rationalized in terms of differences in the conformation of the protonated diamine monomers. The minimum energy species, formed by equilibrium proton transfer processes, have a cyclic conformation and the ion charge is shared by both amino-groups which are bridged by the proton. On the other hand, the species formed through dissociation of protonated dimers have a linear structure and the charge is localized on one of the amino-groups. Thus, the difference in the PA values obtained by both methods is a measure of the additional stability acquired by the protonated diamines through cyclization and charge delocalization. The major collision dissociation pathway of the protonated diamine monomers involved elimination of an ammonia moiety. Other reactions observed included loss of the second amino-group and several other bond cleavages. CID of the protonated dimers involved primarily formation of a protonated monomer through cleavage of the weaker hydrogen bond and subsequently loss of ammonia at higher collision energies. As observed from the CID studies, doubly charged ions were also formed from the diamines under conditions of the electrospray ionization.

Karpas, Z.↗

Size estimation of complexes consisting of hairpin DNAs bound to an assembler-strand

In connection with a model of a primitive translation based entirely on nucleic acids the structural requirements and interactions of small nucleic acids were studied. As shown previously hairpins bind to a complementary single-strand by base pairs of their loop nucleotides if the loop contains at least five nucleotides (Baumann et al 1987). Here, the question is approached to which degree a single-strand, the assembler-strand, is occupied with hairpin molecules. A gapless occupation would allow the close proximity necessary for the assumed peptide bond formation by hairpins bearing an amino acid at their 3'-end. Oligo(dC)(sub n), n = 12, 15, 18, and the investigated hairpins form complexes which are detectable under nondenaturing electrophoretic conditions. The size range is estimated to be 3-4 hairpin molecules to one assembler molecule when oligo(dC)(sub n), n = 15, 18, is used. Due to the limitation of the method, dependence of the migration velocity on the shape which is unique and thus limits the use of marker nucleic acids, and due to the uncertainty if the ends of the assembler form base pairs, a gapless occupation of the assembler is conceivable but not proven.

Baumann, Ulrich↗

Van Driest transformation and compressible wall-bounded flows

The transformation validity question utilizing resulting data from direct numerical simulations (DNS) of supersonic, isothermal cold wall channel flow was investigated. The DNS results stood for a wide scope of parameter and were suitable for the purpose of examining the generality of Van Driest transformation. The Van Driest law of the wall can be obtained from the inner-layer similarity arguments. It was demonstrated that the Van Driest transformation cannot be incorporated to collapse the sublayer and log-layer velocity profiles simultaneously. Velocity and temperature predictions according to the preceding composite mixing-length model were presented. Despite satisfactory congruity with the DNS data, the model must be perceived as an engineering guide and not as a rigorous analysis.

TRT-THEORETICAL↗