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At least 145 records · Page 8

Electronic spectra and photophysics of platinum(II) complexes with alpha-diimine ligands - Solid-state effects. I - Monomers and ligand pi dimers

Two types of emission behavior for Pt(II) complexes containing alpha-diimine ligands have been observed in dilute solution. If the complex also has weak field ligands such as chloride, ligand field (d-d) excited states become the lowest energy excited states. If only strong field ligands are present, a diimine 3(pi-pi/asterisk/) state becomes the lowest. In none of the cases studied did metal-to-ligand charge transfer excited state lie lowest.

Miskowski, Vincent M.↗

The role of overset grids in the development of the general purpose CFD code

A discussion of the strengths and weaknesses of overset composite grid and solution technology is given, along with a sampling of current work in the area. Major trends are identified, and the observation is made that generalized and hybridized overset methods provide a natural framework for combining disparate mesh types and physics models. Because of this, the author concludes that overset methods will be the foundation for the general purpose computational fluid dynamics programs of the future.

Belk, Davy M.↗

Three-dimensional spherical models of layered and whole mantle convection

We present numerical calculations of three-dimensional spherical shell thermal convection for constant viscosity and stratified viscosity models of whole-layer and two-layer mantle convection. These four examples are intended to provide theoretical guidance for determining the style of convection that is occurring in Earth's mantle. An impermeable interface between the upper and lower convecting shells in the two-layer solutions is placed at a depth of 670 km to coincide with the mantle seismic discontinuity that divides the upper and lower mantle. The interface results in an internal thermal boundary layer that raises the mean temperature in the lower shell by about 1400 K compared to the whole-layer solutions. The patterns of convection in the upper part of the whole-layer solutions are dominated by narrow arcuate sheetlike downflows in a background of weak upflow. In contrast, the upper shells of the two-layer solutions have complicated networks of convective rolls with the upflows and downflows having very similar structure. The structure of convection in the lower shells is similar to that in the lower part of the whole-layer solutions. Based on the horizontal structure of subduction zones on Earth's surface and on tomographic images of temperature variations in Earth's mantle, we conclude that the style of convection in Earth's mantle is more like that of the whole-mantle models.

Glatzmaier, Gary A.↗

Contact and pressure balance structures in two-fluid cosmic-ray hydrodynamics

The role of cosmic-ray-modified contact discontinuities and pressure balance structures in two-fluid cosmic-ray hydrodynamics in one Cartesian space dimension are investigated by means of analytic and numerical solution examples, as well as by weakly nonlinear asymptotics. The fundamental wave modes of the two-fluid cosmic-ray hydrodynamic equations in the long-wavelength limit consist of the backward and forward propagating cosmic-ray-modified sound waves, with sound speed dependent on both the cosmic-ray and thermal gas pressures; the contact discontinuity; and a pressure balance mode in which the sum ofthe cosmic ray and thermal gas pressure perturbations is zero. The pressure balance mode, like the contact discontinuity is advected with the background flow. The interaction of the pressure balance mode with the contact discontinuity is investigated by means of the method of multiple scales. The thermal gas and cosmic-ray pressure perturbations satisfy a linear diffusion equation, and entropy perturbations arising from nonisentropic initial conditions for the thermal gas are frozen into the fluid. The contact discontinuity and pressure balance eigenmodes both admit nonzero perturbations in the thermal gas, whereas the cosmic-ray-modified sound waves are isentropic. The total entropy perturbation is shared between the contact discontinuity and pressure balance eigenmodes, and examples are given in which there is a transfer of entropy between the two modes. In particular, N-wave type density disturbances are obtained which arise as a result of the entropy transfer between the two modes. A weakly nonlinear geometric optics perturbation expansion is used to study the long timescale evolution of the short-wavelength entropy wave and the thermal gas sound waves in a slowly varying, large-scale background flow. The weakly nonlinear geometric optics expansion is also used to generalize previous studies of squeezing instability for short-wavelength sound waves in the two fluid model, by including a weakly nonlinear wave steepening term that leads to shock formation, as well as the effect of long time and space dependence of the background flow. Implications of cosmic-ray-modified pressure balance structures and contact discontinuities in models of the interaction of traveling interplanetary shocks and compression and rarefraction waves with the solar wind termination shock are briefly discussed.

Webb, G. M.↗

Dominant takeover regimes for genetic algorithms

The genetic algorithm (GA) is a machine-based optimization routine which connects evolutionary learning to natural genetic laws. The present work addresses the problem of obtaining the dominant takeover regimes in the GA dynamics. Estimated GA run times are computed for slow and fast convergence in the limits of high and low fitness ratios. Using Euler's device for obtaining partial sums in closed forms, the result relaxes the previously held requirements for long time limits. Analytical solution reveal that appropriately accelerated regimes can mark the ascendancy of the most fit solution. In virtually all cases, the weak (logarithmic) dependence of convergence time on problem size demonstrates the potential for the GA to solve large N-P complete problems.

Noever, David↗

Calcium bridges are not load-bearing cell-wall bonds in Avena coleoptiles

I examined the ability of frozen-thawed Avena sativa L. coleoptile sections under applied load to extend in response to the calcium chelators ethyleneglycol-bis-(beta-aminoethylether)-N,N,N',N'-tetraacetic acid (EGTA) and 2-[(2-bis-[carboxymethyl]amino-5-methylphenoxy)methyl]-6-methoxy-8-bis[car boxymethyl]aminoquinoline (Quin II). Addition of 5 mM EGTA to weakly buffered (0.1 mM, pH 6.2) solutions of 2(N-morpholino) ethanesulfonic acid (Mes) initiated rapid extension and wall acidification. When the buffer strength was increased (e.g. from 20 to 100 mM Mes, pH 6.2) EGTA did not initiate extension nor did it cause wall acidification. At 5 mM Quin II failed to stimulate cell extension or wall acidification at all buffer molarities tested (0.1 to 100 mM Mes). Both chelators rapidly and effectively removed Ca2+ from Avena sections. These data indicate that Ca2+ chelation per se does not result in loosening of Avena cells walls. Rather, EGTA promotes wall extension indirectly via wall acidification.

NASA Program Space Biology↗

Novel Applications of Magnetic Fields for Fluid Flow Control and for Simulating Variable Gravity Conditions

Static and dynamic magnetic fields have been used to control convection in many materials processing applications. In most of the applications, convection control (damping or enhancement) is achieved through the Lorentz force that can be tailored to counteract/assist dominant system flows. This technique has been successfully applied to liquids that are electrically conducting, such as high temperature melts of semiconductors, metals and alloys, etc. In liquids with low electrical conductivity such as ionic solutions of salts in water, the Lorentz force is weak and hence not very effective and alternate ways of flow control are necessary. If the salt in solution is paramagnetic then the variation of magnetic susceptibility with temperature and/or concentration can be used for flow control. For thermal buoyancy driven flows this can be accomplished in a temperature range below the Curie point of the salt. The magnetic force is proportional to the magnetic susceptibility and the product of the magnetic field and its gradient. By suitably positioning the experiment cell in the magnet, system flows can be assisted or countered, as desired. A similar approach can be extended to diamagnetic substances and fluids but the required magnetic force is considerably larger than that required for paramagnetic substances. The presentation will provide an overview of work to date on a NASA fluid physics sponsored project that aims to test the hypothesis of convective flow control using strong magnetic fields in protein crystal growth. The objective is to understand the nature of the various forces that come into play, delineate causative factors for fluid flow and to quantify them through experiments, analysis, and numerical modeling. The seminar will report specifically on the experimental results using paramagnetic salts and solutions in magnetic fields and compare them to analytical predictions. Applications of the concept to protein crystallization studies will be discussed. The use of strong magnetic fields for terrestrially simulating variable gravity environments and applications supporting the NASA Exploration Initiative will also be briefly discussed.

Ramachandran, N.↗

Scheduling Position, Navigation and Time Service Requests from Non-dedicated Lunar Constellations

This paper presents a centralized scheduler that satisfies user requests for Position, Navigation, and Time (PNT) services from an ad-hoc, non-dedicated orbital constellation around the Moon. Traditional, dedicated GNSS networks provide service 24/7, which allows users to acquire localization services at-will. For ad-hoc networks, a coordinated schedule is needed to ensure Quality of Service (QoS) guarantees for user localization, while satisfying non-dedicated assets’ usage constraints. This scheduler bridges this coordination gap by leveraging Mixed Integer-Linear Programming (MILP) to schedule this “as-needed” localization service while respecting the constraints on each asset. In upcoming decades there is expected to be a substantial increase in Lunar missions. Many of these missions will feature low-cost surface assets near the moon’s polar regions and small-sat science missions in orbit. Most missions need PNT capabilities to ensure safe operations and meet their science objectives, but low-cost missions may not be able to support the large power, mass, and weight that a weak GNSS or DSN based navigation solution would entail. Asset localization has been demonstrated using a decentralized extended Kalman Filter (DEKF) in the previously presented Lunar Autonomous PNT System (LAPS). Within the LAPS simulation environment, a module has been developed to generate the coordinated user-asset schedules described above; this Service Scheduler Module (SSM) allows for complete end-to-end testing of the entire system. Within SSM, a user service request consists of a location on the Lunar surface, a cumulative service duration, and a window in which service must occur. SSM takes as input these requests and the LAPS-predicted positional degree of precision as the QoS for each available set of orbital assets. A simple, baseline MILP model is formulated to provide the highest-precision service balanced across all requests. To reflect the non-dedicated nature of the constellation, this baseline model is augmented with additional asset-specific load capacity constraints or availability constraints. The load capacity constraints limit total time spent providing service, and the availability constraints reflect blockout times or availability windows when the assets are not otherwise occupied. SSM outputs two schedules: the user schedule to indicate their service times and expected QoS, and a satellite schedule to be transmitted to the orbiting constellation, describing when each non-dedicated asset provides PNT service. SSM is predominantly implemented in MATLAB and allows the use of any MILP solver to generate the resulting schedules. This paper describes the SSM - LAPS interface, how the output of LAPS is used to construct the MILP, and how SSM provides user localization service while satisfying constraints. It will also demonstrate the tool’s flexibility for formulating schedules for the end user and the constellation, focusing on scenarios that match real-world proposed missions. It will detail how SSM can be used to compare the addition of load capacity constraints, satellite availability constraints, and QoS guarantees for the users. Finally, we describe how SSM can be used to support the design of the ad-hoc constellation itself. The resulting integrated capability will support the design of future ad-hoc Lunar PNT networks, enabling high-quality, low-cost Lunar exploration

Swarm↗

Solution-Adaptive Program for Computing 2D/Axi Viscous Flow

A computer program solves the Navier- Stokes equations governing the flow of a viscous, compressible fluid in an axisymmetric or two-dimensional (2D) setting. To obtain solutions more accurate than those generated by prior such programs that utilize regular and/or fixed computational meshes, this program utilizes unstructured (that is, irregular triangular) computational meshes that are automatically adapted to solutions. The adaptation can refine to regions of high change in gradient or can be driven by a novel residual minimization technique. Starting from an initial mesh and a corresponding data structure, the adaptation of the mesh is controlled by use of minimization functional. Other improvements over prior such programs include the following: (1) Boundary conditions are imposed weakly; that is, following initial specification of solution values at boundary nodes, these values are relaxed in time by means of the same formulations as those used for interior nodes. (2) Eigenvalues are limited in order to suppress expansion shocks. (3) An upwind fluctuation-splitting distribution scheme applied to inviscid flux requires fewer operations and produces less artificial dissipation than does a finite-volume scheme, leading to greater accuracy of solutions.

Wood, William A.↗

Reflectance and unsteady temperature distribution of diffuse reflectors

The applicability of a previously derived solution of the Kubelka-Munk differential equations for the reflectance of an absorbing and scattering material for the case of a zero absorption coefficient to the description of the reflectance of a weakly absorbing, highly scattering material is examined. A solution for the transient heating of a one-dimensional volume reflector is obtained, and the error incurred in the use of the zero absorption coefficient solution is assessed for early times appropriate to the entry heat protection system application. It is found that the small difference in reflectance causes a significant difference in internal temperature.

Weston, K. C.↗

Linear and weakly nonlinear aspects of free shear layer instability, roll-up, subharmonic interaction and wall influence

The growth of the momentum thickness and the modal disturbance energies are examined to study the nature and onset of nonlinearity in a temporally growing free shear layer. A shooting technique is used to find solutions to the linearized eigenvalue problem, and pseudospectral weakly nonlinear simulations of this flow are obtained for comparison. The roll-up of a fundamental disturbance follows linear theory predictions even with a 20 percent disturbance amplitude. A weak nonlinear interaction of the disturbance creates a finite-amplitude mean shear stress which dominates the growth of the layer momentum thickness, and the disturbance growth rate changes until the fundamental disturbance dominates. The fundamental then becomes an energy source for the harmonic, resulting in an increase in the growth rate of the subharmonic over the linear prediction even when the fundamental has no energy to give. Also considered are phase relations and the wall influence.

Cain, A. B.↗

Nearly incompressible fluids. II - Magnetohydrodynamics, turbulence, and waves

The theory of nearly incompressible (NI) fluid dynamics developed previously for hydrodynamics is extended to magnetohydrodynamics (MHD). Based on a singular expansion technique, modified systems of fluid equations are obtained for which the effects of compressibility are admitted only weakly in terms of the different possible incompressible solutions. NI MHD represents the interface between the compressible and incompressible magnetofluid descriptions in the subsonic regime. It is shown that three distinct NI descriptions exist corresponding to each of the three possible plasma beta regimes. The detailed theory of weakly compressible corrections to the various incompressible MHD descriptions is presented, and the implications for the solar wind are discussed.

Zank, G. P.↗

First-order wetting transition at a liquid-vapor interface

Evidence from reflectance and contact angle measurements is presented that three-phase mixtures of i-C3H7OH-C7F14 exhibit a first-order wetting phase transition at the liquid-vapor interface at 38 C. Equilibration phenomena support this interpretation. Ellipsometry was used to measure the apparent thickness of the intruding layer in the three-phase mixture. At temperatures slightly above the wetting temperature T(w), the intruding layer's thickness is several hundred angstroms and its variation with temperature is extremely weak. Below T(w), three-phase contact can occur between the vapor and both the upper and lower liquid phases; one of the angles which characterizes this contact has a very simple temperature dependence. The thickness of the intruding layer, monitored as the solutions approached equilibrium, is found to depend quite weakly on the height spanned by the upper liquid phase in the vicinity of a first-order wetting transition.

Schmidt, J. W.↗

MHD shocks in the ISM

Researchers survey shock solutions of a partially ionized gas with a magnetic field. The gas is modeled by interacting neutral, ion, electron and charged grain components. They employ a small neutral-ion chemical network to follow the dissociation and ionization of the major species. Cooling by molecular hydrogen (rotational, vibrational and dissociation), grains and dipole molecules is included. There are three basic types of solutions (C, C asterisk, and J) and some more complicated flows involving combinations of the basic types. The initial preshock conditions cover hydrogen nuclei densities of 1 less than n less than 10(exp 10) cm(-3) and shock velocities of 5 less than v(sub s) less than 60 km/s. The magnetic field is varied over 5 decades and the sensitivity of the results to grain parameters, UV and cosmic ray fluxes is ascertained. The parameter space is quite complicated, but there exist some simple divisions. When the initial ionization fraction is small (chi sub i less than 10(-5)), there is a sharp transition between fully C solutions at low velocity and strong J solutions at high velocity. When the initial ionization fraction is larger, C asterisk and/or very weak J shocks are present at low velocities in addition to the C solutions. The flow again changes to strong J shocks at high velocities. When the ionization fraction is large and the flow is only slightly greater than the bulk Alfven velocity, there is a complicated mixture of C, C asterisk and J solutions.

Chernoff, D. F.↗

Solving Two-Equation Turbulence Models With a Perspective on Solving Transport Equations

There are three principal objectives of this report. The first objective is to investigate frequently used two-equation models when solving the RANS equations. In this study, we consider the 2006Wilcox and the 2003 Menter Shear Stress Transport (SST) models. Also, a simple change of the Wilcox model is introduced to improve computational predictions for transonic flows. Computations for flows over two different airfoils are examined to compare these turbulence models. Effects on modeling the physics of each flow due to variations in the models, such as using either strainrate or vorticity in the turbulence production term, are considered and discussed. The second objective of this report is to not only explore but also evaluate the performance of the solution algorithm for the mean flow and the transport equations. The RANS and turbulence modeling equations aresolved in a weakly coupled manner with a diagonal implicit Runge-Kutta (DIRK) solution algorithm. Throughout this report, emphasis is given to reducing the residuals to machine zero in all flow calculations, so as to eliminate the error due to numerical integration of the discrete governing equations. The final objective is to provide a perspective on solving transport equations for turbulence modeling. Aspects of solving such stiff systems of equations, as well as various numerical difficulties and possible techniques to overcome them, are considered. Discussion is also provided concerning what is called ’numerical compatibility’, which is an essential requirement when designing a solution algorithm for solving transport equations.

turbulence modeling↗

An entropy and viscosity corrected potential method for rotor performance prediction

An unsteady Full-Potential Rotor code (FPR) has been enhanced with modifications directed at improving its drag prediction capability. The shock generated entropy has been included to provide solutions comparable to the Euler equations. A weakly interacted integral boundary layer has also been coupled to FPR in order to estimate skin-friction drag. Pressure distributions, shock positions, and drag comparisons are made with various data sets derived from two-dimensional airfoil, hovering, and advancing high speed rotor tests. In all these comparisons, the effect of the nonisentropic modification improves (i.e., weakens) the shock strength and wave drag. In addition, the boundary layer method yields reasonable estimates of skin-friction drag. Airfoil drag and hover torque data comparisons are excellent, as are predicted shock strength and positions for a high speed advancing rotor.

Bridgeman, John O.↗

The equations of nearly incompressible fluids. I - Hydrodynamics, turbulence, and waves

An attempt is made to develop a more general theory of nearly incompressible fluids that can then be applied to many different fields. A perturbation expansion is developed for the fully compressible fluid equations which, in the limit of low Mach number (sound or Alfvenic Mach number), reduce to the appropriate incompressible fluid equations. The method developed derives modified systems of fluid equations in which the compressibility effects are admitted only weakly in terms of the incompressible hydrodynamic solutions ('nearly incompressible hydrodynamics'). Molecular viscosity is included self-consistently, and the role of thermal conduction in an ideal fluid is also considered. With heat conduction included, two distinct routes to incompressibility are found to be possible, distinguished according to the relative magnitudes of the temperature, density, and pressure fluctuations.

Zank, G. P.↗

The influence of a vertical magnetic field on oscillations in an isothermal stratified atmosphere

The effect of a uniform vertical magnetic field on the modes of an isothermal stratified atmosphere is examined. The general solutions of the wave equation for an isothermal magnetized medium are given. Asymptotic expansions of these solutions are presented in the strong- and weak-field limits. For a weak field, it is found that, to lowest order of the present perturbation expansion, the oscillation spectrum can be analyzed in terms of p- and g-like modes, magnetic Lamb modes, and magnetic or slow modes. The frequency corrections for each of the modes due to coupling with the remaining modes are calculated. It is demonstrated that when the frequencies of different modes are almost identical, strong mode coupling occurs and the waves acquire a mixed character. An analysis of the solutions in the vicinity of the degenerate frequencies is carried out. The solutions reveal the presence of avoided crossings, which occur at the otherwise degenerate frequencies. Examples of different types of avoided crossings are given.

Hasan, S. S.↗