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NASA NTRS1991

Characteristics of the Martian atmosphere surface layer

Researchers extend elements of various terrestrial boundary layer models to Mars in order to estimate sensible heat, latent heat, and momentum fluxes within the Martian atmospheric surface layer. To estimate the molecular viscosity and thermal conductivity of a CO2-H2O gas mixture under Martian conditions, parameterizations were developed. Parameterizations for specific heat and and binary diffusivity were also determined. The Prandtl and Schmidt numbers derived from these thermophysical properties were found to range from 0.78 - 1.0 and 0.47 - 0.70, respectively, for Mars. Brutsaert's model for sensible and latent heat transport within the interfacial sublayer for both aerodynamically smooth and rough airflow was experimentally tested under similar conditions, validating its application to Martian conditions. For the surface sublayer, the researchers modified the definition of the Monin-Obukhov length to properly account for the buoyancy forces arising from water vapor gradients in the Martian atmospheric boundary layer. This length scale was then utilized with similarity theory turbulent flux profiles with the same form as those used by Businger et al. and others. It was found that under most Martian conditions, the interfacial and surface sublayers offer roughly comparable resistance to sensible heat and water vapor transport and are thus both important in determining the associated fluxes.

Clow, G. D.↗

NASA NTRS1990

Kinetics and transport at AMTEC electrodes. II - Temperature dependence of the interfacial impedance of Na(g)/porous Mo/Na-Beta-double prime alumina

The exchange current, transfer coefficient, mass-transport parameters, and electrode capacitance at the Na(g)/porous Mo/Na-Beta-double prime alumina solid electrolyte (BASE) phase boundary have been evaluated from 740 to 1220 K. The transfer coefficient exhibits a value close to 0.5 and the exchange current is dominated by collision frequency, with no significant activation energy. Since the porous Mp-electrode adopts a fairly regular microstructure on the BASE surface, the magnitude of the exchange current of mature electrodes directly depends on the actual contact zone of the porous metal film with the BASE ceramic, and decreases slightly as grain growth occurs. The exchange currents and the mass-transport parameters derived for very porous, thin Mo electrodes indicate that the charge-transfer reaction occurs at a small fraction of the interface. High-frequency limiting capacitance and resistance values due to the interface show potential dependence and a value on the order of 1 F/sq m and 0.1-1.0 Ohm-sq cm.

Williams, R. M.↗

NASA NTRS1995

Molecular dynamics studies of simple membrane-water interfaces: Structure and functions in the beginnings of cellular life

Molecular dynamics computer simulations of the structure and functions of a simple membrane are performed in order to examine whether membranes provide an environment capable of promoting protobiological evolution. Our model membrane is composed of glycerol 1-monooleate. It is found that the bilayer surface fluctuates in time and space, occasionally creating thinning defects in the membrane. These defects are essential for passive transport of simple ions across membranes because they reduce the Born barrier to this process by approximately 40%. Negative ions are transferred across the bilayer more readily than positive ions due to favorable interactions with the electric field at the membrane-water interface. Passive transport of neutral molecules is, in general, more complex than predicted by the solubility-diffusion model. In particular, molecules which exhibit sufficient hydrophilicity and lipophilicity concentrate near membrane surfaces and experience 'interfacial resistance' to transport. The membrane-water interface forms an environment suitable for heterogeneous catalysis. Several possible mechanisms leading to an increase of reaction rates at the interface are discussed. We conclude that vesicles have many properties that make them very good candidates for earliest protocells. Some potentially fruitful directions of experimental and theoretical research on this subject are proposed.

Pohorille, Andrew↗

NASA NTRS1984

Transport Processes in Dendritic Crystallization

Free dentritic growth refers to the unconstrained development of crystals within a supercooled melt, which is the classical dendrite problem. The development of theoretical understanding of dendritic growth and its experimental status is sketched showing that transport theory and interfacial thermodynamics (capillarity theory) are insufficient ingredients to develop a truly predictive model of dendrite formation. The convenient, but incorrect, notion of maximum velocity was used for many years to estimate the behavior of dendritic transformations until supplanted by modern dynamic stability theory. The proper combinations of transport theory and morphological stability seem to be able to predict the salient aspects of dendritic growth, especially in the neighborhood of the tip.

Glicksman, M. E.↗

NASA NTRS1984

Free dendritic growth

Free dendritic growth refers to the unconstrained development of crystals within a supercooled melt, which is the classical 'dendrite problem'. Great strides have been taken in recent years in both the theoretical understanding of dendritic growth and its experimental status. The development of this field will be sketched, showing that transport theory and interfacial thermodynamics (capillarity theory) were sufficient ingredients to develop a truly predictive model of dendrite formation. The convenient, but incorrect, notion of 'maximum velocity' was used for many years to estimate the behavior of dendritic transformations until supplanted by modern dynamic stability theory. The proper combinations of transport theory and morphological stability seem to able to predict the salient aspects of dendritic growth, especially in the neighborhood of the tip. The overall development of cast microstructures, such as equiaxed zone formation, rapidly solidified microstructures, etc., also seems to contain additional non-deterministic features which lie outside the current theories discussed here.

Glicksman, M. E.↗

NASA NTRS1999

Materials Science Experiments on the International Space Station

The Performance Goal for NASA's Microgravity Materials Science Program reads "Use microgravity to establish and improve quantitative and predictive relationships between the structure, processing and properties of materials." The advent of the International Space Station will open up a new era in Materials Science Research including the ability to perform long term and frequent experiments in microgravity. As indicated the objective is to gain a greater understanding of issues of materials science in an environment in which the force of gravity can be effectively switched off. Thus gravity related issues of convection, buoyancy and hydrostatic forces can be reduced and the science behind the structure/processing/properties relationship can more easily be understood. The specific areas of research covered within the program are (1) the study of Nucleation and Metastable States, (2) Prediction and Control of Microstructure (including pattern formation and morphological stability), (3) Phase Separation and Interfacial Stability, (4) Transport Phenomena (including process modeling and thermophysical properties measurement), and (5) Crystal Growth, and Defect Generation and Control. All classes of materials, including metals and alloys, glasses and ceramics, polymers, electronic materials (including organic and inorganic single crystals), aerogels and nanostructures, are included in these areas. The principal experimental equipment available to the materials scientist on the International Space Station (ISS) will be the Materials Science Research Facility (MSRF). Each of these systems will be accommodated in a single ISS rack, which can operate autonomously, will accommodate telescience operations, and will provide real time data to the ground. Eventual plans call for three MSRF racks, the first of which will be shared with the European Space Agency (ESA). Under international agreements, ESA and other partners will provide some of the equipment, while NASA covers launch and integration costs. The MSRF facilities will include modular components, which can be exchanged to provide inserts specifically matched to the engineering requirements of the particular Principal Investigator. To defray costs and avoid duplication of engineering effort NASA is also pursuing the possibility of using facilities provided by international partners. By this means it is anticipated that all of the types of research outlined in the previous paragraph can be done on the ISS.

Gillies, Donald C.↗

NASA NTRS2001

Microgravity Combustion Science and Fluid Physics Experiments and Facilities for the ISS

At the NASA Glenn Research Center, the Microgravity Science Program supports both ground-based and flight experiment research in the disciplines of Combustion Science and Fluid Physics. Combustion Science research includes the areas of gas jet diffusion flames, laminar flames, burning of droplets and misting fuels, solids and materials flammability, fire and fire suppressants, turbulent combustion, reaction kinetics, materials synthesis, and other combustion systems. The Fluid Physics discipline includes the areas of complex fluids (colloids, gels, foams, magneto-rheological fluids, non-Newtonian fluids, suspensions, granular materials), dynamics and instabilities (bubble and drop dynamics, magneto/electrohydrodynamics, electrochemical transport, geophysical flows), interfacial phenomena (wetting, capillarity, contact line hydrodynamics), and multiphase flows and phase changes (boiling and condensation, heat transfer, flow instabilities). A specialized International Space Station (ISS) facility that provides sophisticated research capabilities for these disciplines is the Fluids and Combustion Facility (FCF). The FCF consists of the Combustion Integrated Rack (CIR), the Fluids Integrated Rack (FIR) and the Shared Accommodations Rack and is designed to accomplish a large number of science investigations over the life of the ISS. The modular, multiuser facility is designed to optimize the science return within the available resources of on-orbit power, uplink/downlink capacity, crew time, upmass/downmass, volume, etc. A suite of diagnostics capabilities, with emphasis on optical techniques, will be provided to complement the capabilities of the subsystem multiuser or principal investigator-specific experiment modules. The paper will discuss the systems concept, technical capabilities, functionality, and the initial science investigations in each discipline.

Lauver, Richard W.↗

NASA NTRS2002

Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities in Protein Crystallization

The objective of the proposed research is to obtain further insight into the onset and development of the defect-causing instabilities that anise due to the coupling of the bulk transport and nonlinear-interfacial kinetics during growth in the mixed regime, utilizing the reduction of the convective contribution to the bulk transport under microgravity. These studies will build upon the data on the effects of quantitative variations of the forced convection velocity on the averaged and time-dependent kinetic behavior of protein crystal growth systems that have recently been obtained in our laboratory.

Vekilov, Peter G.↗

NASA NTRS1990

Characteristics of the Martian atmosphere surface layer

Elements of various terrestrial boundary layer models are extended to Mars in order to estimate sensible heat, latent heat, and momentum fluxes within the Martian atmospheric surface ('constant flux') layer. The atmospheric surface layer consists of an interfacial sublayer immediately adjacent to the ground and an overlying fully turbulent surface sublayer where wind-shear production of turbulence dominates buoyancy production. Within the interfacial sublayer, sensible and latent heat are transported by non-steady molecular diffusion into small-scale eddies which intermittently burst through this zone. Both the thickness of the interfacial sublayer and the characteristics of the turbulent eddies penetrating through it depend on whether airflow is aerodynamically smooth or aerodynamically rough, as determined by the Roughness Reynold's number. Within the overlying surface sublayer, similarity theory can be used to express the mean vertical windspeed, temperature, and water vapor profiles in terms of a single parameter, the Monin-Obukhov stability parameter. To estimate the molecular viscosity and thermal conductivity of a CO2-H2O gas mixture under Martian conditions, parameterizations were developed using data from the TPRC Data Series and the first-order Chapman-Cowling expressions; the required collision integrals were approximated using the Lenard-Jones potential. Parameterizations for specific heat and binary diffusivity were also determined. The Brutsart model for sensible and latent heat transport within the interfacial sublayer for both aerodynamically smooth and rough airflow was experimentally tested under similar conditions, validating its application to Martian conditions. For the surface sublayer, the definition of the Monin-Obukhov length was modified to properly account for the buoyancy forces arising from water vapor gradients in the Martian atmospheric boundary layer. It was found that under most Martian conditions, the interfacial and surface sublayers offer roughly comparable resistance to sensible heat and water vapor transport and are thus both important in determining the associated fluxes.

Clow, G. D.↗

NASA NTRS1992

Combustion of liquid-fuel droplets in supercritical conditions

A comprehensive analysis of liquid-fuel droplet combustion in both subcritical and supercritical environments has been conducted. The formulation is based on the complete conservation equations for both gas and liquid phases, and accommodates variable thermophysical properties, finite-rate chemical kinetics, and a full treatment of liquid-vapor phase equilibrium at the drop surface. The governing equations and associated interfacial boundary conditions are solved numerically using a fully coupled, implicit scheme with the dual time-stepping integration technique. The model is capable of treating the entire droplet history, including the transition from the subcritical to supercritical state. As a specific example, the combustion of n-pentane fuel droplets in air is studied for pressures in the range of 5-140 atm. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influence on fluid transport, gas-liquid interfacial thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibit a considerable change in the combustion mechanism at the critical pressure, mainly as a result of reduced mass diffusivity and latent heat of vaporization with increased pressure.

Shuen, J. S.↗

NASA NTRS1993

Supercritical droplet combustion and related transport phenomena

An overview of recent advances in theoretical analyses of supercritical droplet vaporization and combustion is conducted. Both hydrocarbon and cryogenic liquid droplets over a wide range of thermodynamic states are considered. Various important high-pressure effects on droplet behavior, such as thermodynamic non-ideality, transport anomaly, and property variation, are reviewed. Results indicate that the ambient gas pressure exerts significant control of droplet gasification and burning processes through its influence on fluid transport, gas-liquid interfacial thermodynamics, and chemical reactions. The droplet gasification rate increases progressively with pressure. However, the data for the overall burnout time exhibit a considerable change in the combustion mechanism at the criticl pressure, mainly as a result of reduced mass diffusivity and latent heat of vaporization with increased pressure. The influence of droplet size on the burning characteristics is also noted.

Yang, Vigor↗

NASA NTRS1993

Temperature dependence of protein solubility-determination, application to crystallization, and growth kinetics studies

A scintillation method was developed for determinations of the temperature dependence of the solubility, and of nucleation induction times of proteins, in 50-100 mu(l) volumes of solution. Solubility data for lysozyme and horse serum albumin were obtained for various combinations of pH and precipitant concentrations. These data and the nucleation induction information were used for dynamic crystallization control, that is, for the controlled separation of nucleation and growth stages. Individual lysozyme and horse serum albumin crystals were grown in 15-20 mu(l) solution volumes contained in x-ray capillaries. The morphology and kinetics of the growth and dissolution of lysozyme in aqueous solutions with 2.5 percent NaCl and at pH = 4.5 was studied in situ with a depth resolution of 300 A (4 unit cells) by high resolution optical microscopy and digital image processing. The bulk super- or under saturation, sigma, of the solution inside a closed growth cell was controlled by temperature. The growth habit was bound by (110) and (101) faces that grew through layer spreading, although with different growth rate dependencies on supersaturation/temperature. At sigma less than 10 (obtained at higher temperatures) growth was purely kinetic ally controlled, with impurity effects (macrostep formation and kinetic hindrance) becoming significant for sigma less than 2. At sigma greater than 10 (lower temperatures), anisotropies in the interfacial kinetics were more pronounced, with interfacial kinetics and bulk transport becoming equally important to the growth morphology. Growth rates were growth history dependent. The formation of striations (layers of irregularly incorporated solution) was unambiguously correlated with growth temperature variations. Etching exposed dislocations and various high-index faces whose growth morphologies were studied during return to the steady state growth form. Growth steps were observed to originate from two-dimensional nuclei or from outcrops of growth striations, and from dislocations that preferentially formed in growth sector boundaries.

Rosenberger, Franz↗

NASA NTRS1996

Nucleation and Crystallization of Globular Proteins: What we Know and What is Missing

Recently. much progress has been made in understanding the nucleation and crystallization of globular proteins, including the formation of compositional and structural crystal defects, Insight into the interactions of (screened) protein macro-ions in solution, obtained from light scattering, small angle X-ray scattering and osmotic pressure studies. can guide the search for crystallization conditions. These studies show that the nucleation of globular proteins is governed by the same principles as that of small molecules. However, failure to account for direct and indirect (hydrodynamic) protein interactions in the solutions results in unrealistic aggregation scenarios. Microscopic studies of numerous proteins reveal that crystals grow by the attachment of growth units through the same layer-spreading mechanisms as inorganic crystals. Investigations of the growth kinetics of hen-egg-white lysozyme (HEWL) reveal non-steady behavior under steady external conditions. Long-term variations in growth rates are due to changes in step-originating dislocation groups. Fluctuations on a shorter timescale reflect the non-linear dynamics of layer growth that results from the interplay between interfacial kinetics and bulk transport. Systematic gel electrophoretic analyses suggest that most HEWL crystallization studies have been performed with material containing other proteins at percent levels. Yet, sub-percent levels of protein impurities impede growth step propagation and play a role in the formation of structural/compositional inhomogeneities. In crystal growth from highly purified HEWL solutions, however, such inhomogeneities are much weaker and form only in response to unusually large changes in growth conditions. Equally important for connecting growth conditions to crystal perfection and diffraction resolution are recent advances in structural characterization through high-resolution Bragg reflection profiling and X-ray topography.

Rosenberger, F.↗

NASA NTRS1994

Incorporating interfacial phenomena in solidification models

A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

Beckermann, Christoph↗

NASA NTRS1983

Gravitational effects in dendritic growth

The theories of diffusion-controlled dendritic crystallization will be reviewed briefly, along with recently published critical experiments on the kinetics and morphology of dendritic growth in pure substances. The influence of the gravitational body force on dendrite growth kinetics will be shown to be highly dependent on the growth orientation with respect to the gravity vector and on the level of the thermal supercooling. In fact, an abrupt transition occurs at a critical supercooling, above which diffusional transport dominates the growth process and below which convective transport dominates. Our most recent work on binary mixtures shows that dilute solute additions influence the crystallization process indirectly, by altering the interfacial stability, rather than by directly affecting the transport mode. Directions for future studies in this field will also be discussed.

Glicksman, M. E.↗

NASA NTRS1988

Significance of vapor phase chemical reactions on CVD rates predicted by chemically frozen and local thermochemical equilibrium boundary layer theories

This paper investigates the role played by vapor-phase chemical reactions on CVD rates by comparing the results of two extreme theories developed to predict CVD mass transport rates in the absence of interfacial kinetic barrier: one based on chemically frozen boundary layer and the other based on local thermochemical equilibrium. Both theories consider laminar convective-diffusion boundary layers at high Reynolds numbers and include thermal (Soret) diffusion and variable property effects. As an example, Na2SO4 deposition was studied. It was found that gas phase reactions have no important role on Na2SO4 deposition rates and on the predictions of the theories. The implications of the predictions of the two theories to other CVD systems are discussed.

Gokoglu, Suleyman A.↗

NASA NTRS1992

Fluid mechanics phenomena in microgravity; ASME Winter Annual Meeting, Anaheim, CA, Nov. 8-13, 1992

This paper is the first in a series of symposia presenting research activity in microgravity fluid mechanics. General topics addressed include two-phase flow and transport phenomena, thermo-capillary flow, and interfacial stability. Papers present mathmatical models of fluid dynamics in the microgravity environment. Applications suggested include space manufacturing and storage of liquids in low gravity.

Siginer, Dennis A.↗

NASA NTRSDate not supplied

Quantum Mechanical Simulations of Dynamics of Electronic Excitations in Low-Dimensional Photovoltaics Materials

Dynamics of electronically excited states including exciton generation and relaxation, exciton-exciton interaction, and charge/energy transfer and transport, are critical to understanding and optimizing photovoltaic materials. Although considerable progress has been made, accurate experimental characterization of such crucial dynamics remains extremely challenging, especially in low-dimensional materials. In this talk, I will discuss how the advancement of quantum mechanical simulations of the dynamics of electronic excitations can reveal the physical mechanisms hindering or improving solar energy harvest. Specifically, we find that surface dangling-bond defects on silicon quantum dots cause rapid charge recombination and low carrier mobility in the inorganic-organic PV cells. Although small quantum dots are essentially free of defects, their optical gaps are too large. To solve this issue, a full-spectrum-light-absorption scheme is computationally designed, taking advantage of complexity and flexibility of low-dimensional materials consisting of different characteristics and dimensions. In this scheme the multifunctional ligands are used to (1) passivate against oxidation, (2) facilitate interfacial charge transfer, and (3) improve both charge transport and optical absorption. A joint theoretical and experimental study has demonstrated the feasibility of this approach. Finally, I will briefly talk about how this scheme and the well-tested quantum mechanical simulations can be employed to help improve energy-conversion efficiency in perovskite photovoltaics including perovskite-based tandem cells.

Zhigang Wu↗