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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1994

A Note on the Wave Action Density of a Viscous Instability Mode on a Laminar Free-shear Flow

Using the assumptions of an incompressible and viscous flow at large Reynolds number, we derive the evolution equation for the wave action density of an instability wave traveling on top of a laminar free-shear flow. The instability is considered to be viscous; the purpose of the present work is to include the cumulative effect of the (locally) small viscous correction to the wave, over length and time scales on which the underlying base flow appears inhomogeneous owing to its viscous diffusion. As such, we generalize our previous work for inviscid waves. This generalization appears as an additional (but usually non-negligible) term in the equation for the wave action. The basic structure of the equation remains unaltered.

Balsa, Thomas F.↗
NASA NTRS1988

Turbulence energy and diffusion transport of third-moments in a separating and reattaching flow

For accurate prediction of turbulent flow in separated and reattaching regions, it is necessary to incorporate second- and third-moments of turbulent fluctuations. The turbulence energy and the energy dissipation rate equations are modified by incorporating second-order closure. Moreover, a transport equation model for the third-order closure with a near-wall correction is developed for the evaluation of the diffusive action of the second-moments. After comparison of the results with experimental data, it is concluded that the models developed here improve the prediction of triple-velocity correlations in both recirculating and redeveloping flow regions.

Amano, R. S.↗
NASA NTRS1986

Turbulence energy and diffusion transport in a separating and reattaching flow

For accurate prediction of the turbulent flow in separated and reattaching regions, it is necessary to incorporate the second- and third-moments of turbulent fluctuations. The turbulence energy and the energy dissipation rate equations are modified by incorporating the second-order closure. Moreover, the third-order closure with near-wall correction is developed for the evaluation of the diffusive action of the second-moments. After comparison of the results with experimental data, it is shown that the models developed here improve the prediction of triple-velocity correlations in both recirculating and developing flow regions.

Amano, R. S.↗
NASA NTRS1993

Numerical modeling of physical vapor transport under microgravity conditions: Effect of thermal creep and stress

One of the most promising applications of microgravity (micro-g) environments is the manufacture of exotic and high-quality crystals in closed cylindrical ampoules using physical vapor transport (PVT) processes. The quality enhancements are believed to be due to the absence of buoyant convection in the weightless environment - resulting in diffusion-limited transport of the vapor. In a typical experiment, solid-phase sample material is initially contained at one end of the ampoule. The sample is made to sublime into the vapor phase and deposit onto the opposite end by maintaining the source at an elevated temperature with respect to the deposit. Identification of the physical factors governing both the rates and uniformity of crystal growth, and the optimization of the micro-g technology, will require an accurate modeling of the vapor transport within the ampoule. Previous micro-g modeling efforts have approached the problem from a 'classical' convective/diffusion formulation, in which convection is driven by the action of buoyancy on thermal and solutal density differences. The general conclusion of these works have been that in low gravity environments the effect of buoyancy on vapor transport is negligible, and vapor transport occurs in a diffusion-limited mode. However, it has been recently recognized than in the non-isothermal (and often low total pressure) conditions encountered in ampoules, the commonly-assumed no-slip boundary condition to the differential equations governing fluid motion can be grossly unrepresentative of the actual situation. Specifically, the temperature gradients can give rise to thermal creep flows at the ampoule side walls. In addition, temperature gradients in the vapor itself can, through the action of thermal stress, lead to bulk fluid convection.

Mackowski, Daniel W.↗
NASA NTRS2002

Dynamics of Diffusion Flames in von Karman Swirling Flows Studied

Von Karman swirling flow is generated by the viscous pumping action of a solid disk spinning in a quiescent fluid media. When this spinning disk is ignited in an oxidizing environment, a flat diffusion flame is established adjacent to the disk, embedded in the boundary layer (see the preceding illustration). For this geometry, the conservation equations reduce to a system of ordinary differential equations, enabling researchers to carry out detailed theoretical models to study the effects of varying strain on the dynamics of diffusion flames. Experimentally, the spinning disk burner provides an ideal configuration to precisely control the strain rates over a wide range. Our original motivation at the NASA Glenn Research Center to study these flames arose from a need to understand the flammability characteristics of solid fuels in microgravity where slow, subbuoyant flows can exist, producing very small strain rates. In a recent work (ref. 1), we showed that the flammability boundaries are wider and the minimum oxygen index (below which flames cannot be sustained) is lower for the von Karman flow configuration in comparison to a stagnation-point flow. Adding a small forced convection to the swirling flow pushes the flame into regions of higher strain and, thereby, decreases the range of flammable strain rates. Experiments using downward facing, polymethylmethacrylate (PMMA) disks spinning in air revealed that, close to the extinction boundaries, the flat diffusion flame breaks up into rotating spiral flames (refs. 2 and 3). Remarkably, the dynamics of these spiral flame edges exhibit a number of similarities to spirals observed in biological systems, such as the electric pulses in cardiac muscles and the aggregation of slime-mold amoeba. The tail of the spiral rotates rigidly while the tip executes a compound, meandering motion sometimes observed in Belousov-Zhabotinskii reactions.

Nayagam, Vedha↗
NASA NTRS1994

Stochastic acceleration of energetic ions in Jupiter's magnetosphere

An equation governing the combined radial diffusion and stochastic acceleration of super-Alfvenic ions by magnetohydrodynamic waves in Jupiter's outer magnetosphere is derived. The formulation is based upon a total energy invariant of the adiabatic transport which applies to an isotropic distribution undergoing rapid pitch angle scattering by waves. An analytic solution to the double diffusion equation is obtained and numerical results are presented for two models of ion injection. The first model assumes S(+) and O(+) are injected throughout a broad region of space through photoionization of Jupiter's magnetospheric neutral wind and obtain an initial energy corresponding to the local corotation energy after pickup by the planetary magnetic field. The second model assumes a monoenergetic distribution of energetic protons is implanted in the middle magnetosphere by the action of field-aligned potential drops in Jupiter's auroral ionosphere. For both light and heavy ions the injection process creates a seed population of particles which are further accelerated nonadiabatically by the MHD waves and adiabatically through radial diffusion. A comparison of the theoretical results with a recent data analysis of Voyager low-energy charged particle measurements is made with very good agreement, thus providing a rigorous quantitative account of and definitive explanation for the high-energy ion component of Jupiter's magnetosphere.

Barbosa, D. D.↗
NASA NTRS1994

Nonaxisymmetric evolution in protostellar disks

We present a two-dimensional, multigridded hydrodynamical simulation of the collapse of an axisymmetric, rotating, 1 solar mass protostellar cloud, which forms a resolved, hydrotastic disk. The code includes the effects of physical viscosity, radiative transfer and radiative acceleration but not magnetic fields. We examine how the disk is affected by the inclusion of turbulent viscosity by comparing a viscous simulation with an inviscid model evolved from the same initial conditions, and we derive a disk evolutionary timescale on the order of 300,000 years if alpha = 0.01. Effects arising from non-axisymmetric gravitational instabilities in the protostellar disk are followed with a three-dimensional SPH code, starting from the two-dimensional structure. We find that the disk is prone to a series of spiral instabilities with primary azimulthal mode number m = 1 and m = 2. The torques induced by these nonaxisymmetric structures elicit material transport of angular momentum and mass through the disk, readjusting the surface density profile toward more stable configurations. We present a series of analyses which characterize both the development and the likely source of the instabilities. We speculate that an evolving disk which maintains a minimum Toomre Q-value approximately 1.4 will have a total evolutionary span of several times 10(exp 5) years, comparable to, but somewhat shorter than the evolutionary timescale resulting from viscous turbulence alone. We compare the evolution resulting from nonaxisymmetric instabilities with solutions of a one-dimensional viscous diffusion equation applied to the initial surface density and temperature profile. We find that an effective alpha-value of 0.03 is a good fit to the results of the simulation. However, the effective alpha will depend on the minimum Q in the disk at the time the instability is activated. We argue that the major fraction of the transport characterized by the value of alpha is due to the action of gravitational torques, and does not arise from inherent viscosity within the smoothed particle hydrodynamics method.

Laughlin, Gregory↗
NASA NTRS1995

Forced Convection and Sedimentation Past a Flat Plate

The steady laminar flow of a well-mixed suspension of monodisperse solid spheres, convected steadily past a horizontal flat plate and sedimenting under the action of gravity, is examined. It is shown that, in the limit as Re approaches infinity and epsilon approaches 0, where Re is the bulk Reynolds number and epsilon is the ratio of the particle radius a to the characteristic length scale L, the analysis for determining the particle concentration profile has several aspects in common with that of obtaining the temperature profile in forced-convection heat transfer from a wall to a fluid stream moving at high Reynolds and Prandtl numbers. Specifically, it is found that the particle concentration remains uniform throughout the O(Re(exp -1/2)) thick Blasius boundary layer except for two O(epsilon(exp 2/3)) thin regions on either side of the plate, where the concentration profile becomes non-uniform owing to the presence of shear-induced particle diffusion which balances the particle flux due to convection and sedimentation. The system of equations within this concentration boundary layer admits a similarity solution near the leading edge of the plate, according to which the particle concentration along the top surface of the plate increases from its value in the free stream by an amount proportional to X(exp 5/6), with X measuring the distance along the plate, and decreases in a similar fashion along the underside. But, unlike the case of gravity settling on an inclined plate in the absence of a bulk flow at infinity considered earlier, here the concentration profile remains continuous everywhere. For values of X beyond the region near the leading edge, the particle concentration profile is obtained through the numerical solution of the relevant equations. It is found that, as predicted from the similarity solution, there exists a value of X at which the particle concentration along the top side of the plate attains its maximum value phi(sub m) and that, beyond this point, a stagnant sediment layer will form that grows steadily in time. This critical value of X is computed as a function of phi(sub s), the particle volume fraction in the free stream. In contrast, but again in conformity with the similarity solution, for values of X sufficiently far removed from the leading edge along the underside of the plate, a particle-free region is predicted to form adjacent to the plate. This model, with minor modifications, can be used to describe particle migration in other shear flows, as, for example, in the case of crossflow microfiltration.

Pelekasis, Nikolaos A.↗
NASA NTRS1994

On the Behavior of Three-dimensional Wave Packets in Viscously Spreading Mixing Layers

We consider analytically the evolution of a three-dimensional wave packet generated by an impulsive source in a mixing layer. The base flow is assumed to be spreading due to viscous diffusion. The analysis is restricted to small disturbances (linearized theory). A suitable high-frequency ansatz is used to describe the packet; the key elements of this description are a complex phase and a wave action density. It is found that the product of this density and an infinitesimal material volume convecting at the local group velocity is not conserved: there is a continuous interaction between the base flow and the wave action. This interaction is determined by suitable mode-weighted averages of the second and fourth derivatives of the base-flow velocity profile. Although there is some tendency for the dominant wave number in the packet to shift from the most unstable value toward the neutral value, this shift is quite moderate. In practice, wave packets do not become locally neutral in a diverging base flow (as do instability modes), therefore, they are expected to grow more suddenly than pure instability modes and do not develop critical layers. The group velocity is complex; the full significance of this is realized by analytically continuing the equations for the phase and wave action into a complex domain. The implications of this analytic continuation are discussed vis-a-vis the secondary instabilities of the packet: very small scale perturbations on the phase can grow very rapidly initially, but saturate later because most of the energy in these perturbations is convected away by the group velocity. This remark, as well as the one regarding critical layers, has consequences for the nonlinear theories.

Balsa, Thomas F.↗
NASA NTRS2002

Development of a New Membrane Casting Apparatus for Studying Macrovoid Defects in Low-G

A new membrane-casting apparatus is developed for studying macrovoid defects in polymeric membranes made by the wet- and dry-casting process in low-gravity. Macrovoids are large (10-50 micron), open cavities interspersed among the smaller pores in the substructure under the gelled skin surface layer of the cast membrane. Although their occurrence is considered endemic to the wet- and dry-casting process since they can lead to compaction or skin rupture in the membrane process, recent studies suggest several useful applications such as transdermal and osmotic drug delivery systems, miniature bioreactors, etc. However, lack of knowledge about the macrovoid formation mechanism is an obstacle to further development of applications using them. An on-going debate is the role of the surface-tension-driven solutocapillary convection during macrovoid formation. The rapid growth of macrovoids within 1-5 seconds and the high polymer concentration in and near macrovoids make it difficult to explain the mechanism of macrovoid growth by diffusion alone, which is the widely accepted hypothesis proposed by Reuvers et al. The hypothesis advanced by our research group can explain this rapid growth via a mechanism that involves diffusion from the casting solution in the meta-stable region to the macrovoid enhanced by solutocapillary convection induced by the steep nonsolvent concentration gradient in the vicinity of the macrovoid. Since macrovoid growth is hypothesized to be the interplay of a solutocapillary-induced driving force counteracted by viscous drag and buoyancy, eliminate the latter provides a means for testing this hypothesis. Moreover, free convection mass transfer in the nonsolvent immersion bath used to cause phase-separation in membrane casting complicates developing a model for both the wet-casting process and macrovoid growth. The low-g environment minimizes gravitationally induced free convection thereby permitting a tractable solution to the ternary diffusion equations that characterize membrane formation. NASA's Parabolic Flight Research Aircraft provides a small window of low-g (approximately 25 s) that can be used to study macrovoid development in both wet- and dry-cast membranes if an appropriate casting apparatus is used. This casting apparatus should be able to cast the membrane in both low- and high-g in a manner so that essential one-dimensional mass transfer conditions are achieved to insure lateral uniformity in the membrane. The apparatus used in previous research on membrane casting in low-gravity was operated with the plunger driven mechanism. The spring-loaded plunger pushes the bottom block containing the polymer casting solution well directly under the absorbent chamber located in the upper stationary block. However, membranes made via this casting apparatus often displayed lateral nonuniformities that precluded obtaining quantitative information on the macrovoid growth process. Thus, it was necessary to determine the reason for these structural irregularities observed in the low-g casting apparatus. Both experimental as well as computer simulation studies of the low-g casting apparatus established that the impulsive action of the plunger caused the undesired structural nonuniformities. The simulation results showed that the width-to-depth aspect ratio of the shallow well that contains the casting solution in this apparatus was not an important factor in minimizing this problem. Even for a 40:1 (width : depth) aspect ratio, any convection induced by the horizontal motion of the interface of the casting solution will be damped out within 6.25x10(exp 4) seconds. However, the experimental studies revealed that the impulsive motion of the plunger caused a 'sloshing' of the casting solution that had to be eliminated. Therefore, the plungerdriven mechanism was changed to a cam-driven mechanism that did not cause any impulsive motion of the casting solution. Other refinements to this new membrane-casting apparatus include provision for removing the membranes from the casting wells in a less destructive manner. This was accomplished by using a slit geometry for the casting well that permitted disassembly for removal of the cast membrane. The materials used in the construction of this casting apparatus were chosen to insure wetting at the side walls and to maintain precise control of the thickness of the polymer solution in the casting well. An additional provision in this new casting apparatus is the ability to carry out both wet- as well as dry-casting. As such, this apparatus permitted the first studies of the wet-casting of polymeric membranes in low-g. Both wet- and dry-casting experiments on NASA's KC-135 research aircraft employing this new membrane-casting apparatus are scheduled in July 2002. The morphology of the resulting membranes will be characterized using an environmental scanning electron microscope (ESEM). The results of these low-g studies will be reported later.

Lee, Hanyong↗
NASA NTRS2015

Free-Energy Calculations. A Mathematical Perspective

Ion channels are pore-forming assemblies of transmembrane proteins that mediate and regulate ion transport through cell walls. They are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses. They are also essential to cardiac processes, muscle contraction and epithelial transport. Ion channels from lower organisms can act as toxins or antimicrobial agents, and in a number of cases are involved in infectious diseases. Because of their important and diverse biological functions they are frequent targets of drug action. Also, simple natural or synthetic channels find numerous applications in biotechnology. For these reasons, studies of ion channels are at the forefront of biophysics, structural biology and cellular biology. In the last decade, the increased availability of X-ray structures has greatly advanced our understanding of ion channels. However, their mechanism of action remains elusive. This is because, in order to assist controlled ion transport, ion channels are dynamic by nature, but X-ray crystallography captures the channel in a single, sometimes non-native state. To explain how ion channels work, X-ray structures have to be supplemented with dynamic information. In principle, molecular dynamics (MD) simulations can aid in providing this information, as this is precisely what MD has been designed to do. However, MD simulations suffer from their own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. To assess the reliability of MD simulations it is only natural to turn to the main function of channels - conducting ions - and compare calculated ionic conductance with electrophysiological data, mainly single channel recordings, obtained under similar conditions. If this comparison is satisfactory it would greatly increase our confidence that both the structures and our computational methodologies are sufficiently accurate. Channel conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

free energy↗