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At least 325 records · Page 18

Development of a Computational Chemical Vapor Deposition Model: Applications to Indium Nitride and Dicyanovinylaniline

A computational chemical vapor deposition (CVD) model is presented, that couples chemical reaction mechanisms with fluid dynamic simulations for vapor deposition experiments. The chemical properties of the systems under investigation are evaluated using quantum, molecular and statistical mechanics models. The fluid dynamic computations are performed using the CFD-ACE program, which can simulate multispecies transport, heat and mass transfer, gas phase chemistry, chemistry of adsorbed species, pulsed reactant flow and variable gravity conditions. Two experimental setups are being studied, in order to fabricate films of: (a) indium nitride (InN) from the gas or surface phase reaction of trimethylindium and ammonia; and (b) 4-(1,1)dicyanovinyl-dimethylaminoaniline (DCVA) by vapor deposition. Modeling of these setups requires knowledge of three groups of properties: thermodynamic properties (heat capacity), transport properties (diffusion, viscosity, and thermal conductivity), and kinetic properties (rate constants for all possible elementary chemical reactions). These properties are evaluated using computational methods whenever experimental data is not available for the species or for the elementary reactions. The chemical vapor deposition model is applied to InN and DCVA. Several possible InN mechanisms are proposed and analyzed. The CVD model simulations of InN show that the deposition rate of InN is more efficient when pulsing chemistry is used under conditions of high pressure and microgravity. An analysis of the chemical properties of DCVA show that DCVA dimers may form under certain conditions of physical vapor transport. CVD simulations of the DCVA system suggest that deposition of the DCVA dimer may play a small role in the film and crystal growth processes.

Cardelino, Carlos↗

Kinetic and Transport Modeling for Entry Flows in Hydrogen-Helium Atmospheres

Several different thermochemical models for H2/He mixtures are used to simulate a 1-D shock in a viscous CFD code at conditions relevant for hypersonic entry into the ice and gas giants. These models range from a 6-species, 1-temperature (1-T) model, to more complex 17 and 25-species state-to-state (StS) models. Corresponding radiance profiles for each of these models are then computed using a radiation code, and results are compared to experimental data from the NASA Ames Electric Arc Shock Tube (EAST) facility. Overall, the 6-species model with a quasi-steady state (QSS) solver for atomic H and modified ionization rates, along with the 17 and 25-species StS models, are found to reproduce the magnitude of the radiance seen in the EAST experiments reasonably accurately. Two additional changes to the modeling of species diffusion fluxes are also investigated: the exclusion of a ∇W term, as well as the inclusion of Soret/ Dufour effects. It is determined that these changes to the transport modeling have a negligible impact on the flowfield and therefore the radiance predictions for the H2/He shock conditions considered in this study.

Outer planets↗

Low-Frequency Oscillations and Transport Processes Induced by Multiscale Transverse Structures in the Polar Wind Outflow: A Three-Dimensional Simulation

Multiscale transverse structures in the magnetic-field-aligned flows have been frequently observed in the auroral region by FAST and Freja satellites. A number of multiscale processes, such as broadband low-frequency oscillations and various cross-field transport effects are well correlated with these structures. To study these effects, we have used our three-dimensional multifluid model with multiscale transverse inhomogeneities in the initial velocity profile. Self-consistent-frequency mode driven by local transverse gradients in the generation of the low field-aligned ion flow and associated transport processes were simulated. Effects of particle interaction with the self-consistent time-dependent three-dimensional wave potential have been modeled using a distribution of test particles. For typical polar wind conditions it has been found that even large-scale (approximately 50 - 100 km) transverse inhomogeneities in the flow can generate low-frequency oscillations that lead to significant flow modifications, cross-field particle diffusion, and other transport effects. It has also been shown that even small-amplitude (approximately 10 - 20%) short-scale (approximately 10 km) modulations of the original large-scale flow profile significantly increases low-frequency mode generation and associated cross-field transport, not only at the local spatial scales imposed by the modulations but also on global scales. Note that this wave-induced cross-field transport is not included in any of the global numerical models of the ionosphere, ionosphere-thermosphere, or ionosphere-polar wind. The simulation results indicate that the wave-induced cross-field transport not only affects the ion outflow rates but also leads to a significant broadening of particle phase-space distribution and transverse particle diffusion.

Ganguli, Supriya B.↗

A survey of nested grid techniques and their potential for use within the MASS weather prediction model

A survey of various one- and two-way interactive nested grid techniques used in hydrostatic numerical weather prediction models is presented and the advantages and disadvantages of each method are discussed. The techniques for specifying the lateral boundary conditions for each nested grid scheme are described in detail. Averaging and interpolation techniques used when applying the coarse mesh grid (CMG) and fine mesh grid (FMG) interface conditions during two-way nesting are discussed separately. The survey shows that errors are commonly generated at the boundary between the CMG and FMG due to boundary formulation or specification discrepancies. Methods used to control this noise include application of smoothers, enhanced diffusion, or damping-type time integration schemes to model variables. The results from this survey provide the information needed to decide which one-way and two-way nested grid schemes merit future testing with the Mesoscale Atmospheric Simulation System (MASS) model. An analytically specified baroclinic wave will be used to conduct systematic tests of the chosen schemes since this will allow for objective determination of the interfacial noise in the kind of meteorological setting for which MASS is designed. Sample diagnostic plots from initial tests using the analytic wave are presented to illustrate how the model-generated noise is ascertained. These plots will be used to compare the accuracy of the various nesting schemes when incorporated into the MASS model.

Koch, Steven E.↗

Simulated interannual variability of the Greenland Sea deep water formation and its connection to surface forcing

A fully prognostic Arctic ice-ocean model is used to study the interannual variability of deepwater formation in the Greenland Sea Gyre based on the simulations for the Arctic ice-ocean system for the period 1955 and 1960 - 1985. The model uses monthly climatology for thermodynamic forcing components (such as air temperature and cloudiness), together with constant annual net precipitation and river runoff. The daily wind forcing is derived from analyzed sea level air pressures from the National Center for Atmospheric Research (NCAR). In summary, the model shows that the occurence of deep convection in the Greenland Sea Gyre is controlled by the extensive Fram Strait ice export and/or local wind conditions in the Greenland Sea. In the latter case the weakening of the local wind curl allows the Polar Front to move eastward. The movement of the Polar Front causes adverse ice conditions, often together with much larger than normal ice export from the Arctic, such as in 1968, which can block convection in the gyre. The density difference between upper and lower layers is investigated as an indication of water mass formation through convection, occurring as strong diffusion in the model. The model-simulated density difference between the average top 100 m and deep levels reveals that the period 1960 - 1985 had only a few distinct years with weak stratification, and, especially, the model predicts no deep convection since the nid-1970s. The common factor for the years of the weakest decrease of the model-predicted heat content of the upper 2000 m which can, to a high degree, be explained by local heat loss.

Haekkinen, Sirpa↗

Modeling of two-phase flow in membranes and porous media in microgravity as applied to plant irrigation in space

In traditional applications in soil physics it is convention to scale porous media properties, such as hydraulic conductivity, soil water diffusivity, and capillary head, with the gravitational acceleration. In addition, the Richards equation for water flux in partially saturated porous media also contains a gravity term. With the plans to develop plant habitats in space, such as in the International Space Station, it becomes necessary to evaluate these properties and this equation under conditions of microgravitational acceleration. This article develops models for microgravity steady state two-phase flow, as found in irrigation systems, that addresses critical design issues. Conventional dimensionless groups in two-phase mathematical models are scaled with gravity, which must be assigned a value of zero for microgravity modeling. The use of these conventional solutions in microgravity, therefore, is not possible. This article therefore introduces new dimensionless groups for two-phase models. The microgravity models introduced here determined that in addition to porous media properties, important design factors for microgravity systems include applied water potential and the ratio of inner to outer radii for cylindrical and spherical porous media systems.

Plant Roots/growth & development↗

Field-aligned currents and ionospheric electric fields

It is shown that the observed distribution of the ionospheric electric field can be deduced from an equation combining Ohm's law with the current continuity equation by using the 'observed' distribution of field-aligned currents as the boundary condition for two models of the ionosphere. The first model has one conductive annular ring representing the quiet-time auroral precipitation belt; the second has two conductive annular rings that simulate the discrete and diffuse auroral regions. An analysis is performed to determine how well the electric-field distribution can be reproduced. The results indicate that the first model reproduces the Sq(p)-type distribution, the second model reproduces reasonably well a substorm-type potential and ionospheric current patterns together with the Harang discontinuity, and that the distribution of field-aligned currents is the same for both models.

Yasuhara, F.↗

Pattern selection in a boundary-layer model of dendritic growth in the presence of impurities

Presently analyzed, in the context of a boundary-layer model, is the problem of pattern selection in dendritic growth in a situation where impurities are present in the undercooled liquid. It is found that the tip-velocity selection criterion that has been proposed recently for the geometrical model and the boundary-layer model of a pure substance can be extended, in a nontrivial way, to this more complex situation where two coupled diffusion fields (temperature and solute) determine the interface dynamics. This model predicts a sharp enhancement of tip velocity in good qualitative agreement with experiment. This agreement is consistent with the conjecture that a solvability condition can be used to determine the operating point of the dendrite in the full nonlocal problem.

Karma, A.↗

Numerical calculations of turbulent reacting flow in a gas-turbine combustor

A numerical study for confined, axisymmetrical, turbulent diffusion flames is presented. Local mean gas properties are predicted by solving the appropriate conservation equations in the finite difference form with the corresponding boundary conditions. The k-epsilon two-equation turbulence model is employed to describe the turbulent nature of the flow. A two-step kinetic model is assumed to govern the reaction mechanism. The finite reaction rate is the smaller of an Arrhenius type of reaction rate and a modified version of eddy-breakup model. Reasonable agreement is observed between calculations and measurements, but to obtain better agreement, more work is needed on improvements of the above mathematical models. However, the present numerical study offers an improvement in the analysis and design of the gas turbine combustors.

Lin, Chin-Shun↗

Unmagnetized diffusion for azimuthally symmetric wave and particle distributions

The quasi-linear diffusion of particles from resonant interactions with a spectrum of electrostatic waves is investigated theoretically, extending results obtained for no magnetic field and for strong magnetic fields to cases where the ambient magnetic field which organizes azimuthally symmetric wave and particle distributions does not have to be taken into consideration in evaluating the local interaction. The derivation of the governing equations is explained, and numerical results are presented in extensive graphs and characterized in detail. Slow-mode ion-acoustic waves are shown to be unstable under the plasma conditions studied, and the dependence of resonant-ion diffusion rates with pitch angle, speed, and the distribution of wave energy in wavenumber space is explored. The implications of the present findings for theoretical models of the earth bow shock and plasma-sheet boundary layer are indicated.

Dusenbery, P. B.↗

Asymptotic analysis of dissipative waves with applications to their numerical simulation

Various problems involving the interplay of asymptotics and numerics in the analysis of wave propagation in dissipative systems are studied. A general approach to the asymptotic analysis of linear, dissipative waves is developed. It was applied to the derivation of asymptotic boundary conditions for numerical solutions on unbounded domains. Applications include the Navier-Stokes equations. Multidimensional traveling wave solutions to reaction-diffusion equations are also considered. A preliminary numerical investigation of a thermo-diffusive model of flame propagation in a channel with heat loss at the walls is presented.

Hagstrom, Thomas↗

Toward modeling wingtip vortices

Wingtip vortices are generated by lifting airfoils; their salient features are compactness and relatively slow rate of decay. The principal motivation for studying the far field evolution of wingtip vortices is the need to understand and predict the extent of the vortex influence during aircraft take-off or landing. On submarines a wingtip vortex ingested into a propeller can be a source of undesirable noise. The main objectives of this research are (1) to establish theoretical understanding of the principal mechanisms that govern the later (diffusive) stages of a turbulent vortex, (2) to develop a turbulence closure model representing the basic physical mechanisms that control the vortex diffusive stage, and further (3) to investigate coupling between the near and far field evolutions; in other words, to study the effect of initial conditions on the vortex lifetime and the ultimate state.

Zeman, O.↗

Improvements to an Explicit Algebraic Stress Model for Turbulent Jet Mixing Predictions

Modifications to key coefficients in a k − E based explicit algebraic stress model (EASM) are examined with the objective of improving the prediction of turbulent jet flows. The pressure strain coefficient, C2 and the turbulent diffusion coefficients, σk and σE were investigated. For a series of benchmark subsonic jets at heated and unheated conditions, lowering C2 from the default value of 0.36 to 0.10 resulted in a significant improvement in the jet mixing, when compared to experimental data. Changing σk and σE from default values of 1.00 and 1.4489, respectively, to 0.50 and 0.7244, respectively, improved the initial mixing rate, while reducing the farfield mixing rate and the peak turbulent kinetic energy along the centerline. A high-speed mixing layer was also investigated for performance of baseline and modified EASM coefficients, with similar results as for the jet cases. A flat plate boundary layer was briefly examined to determine the effects of changing the coefficients on the turbulent skin friction coefficient. The change to the pressure strain coefficient, C2 = 0.10 is recommended for future EASM calculation of jets flow; however, it is also recommended that the diffusion coefficients remain at their default values.

Turbulent Mixing↗

Gas Diffusion in Fluids Containing Bubbles

Mathematical model describes movement of gases in fluid containing many bubbles. Model makes it possible to predict growth and shrink age of bubbles as function of time. New model overcomes complexities involved in analysis of varying conditions by making two simplifying assumptions. It treats bubbles as point sources, and it employs approximate expression for gas concentration gradient at liquid/bubble interface. In particular, it is expected to help in developing processes for production of high-quality optical glasses in space.

Zak, M.↗

Boundary Conditions of the Heliosphere

We present new calculations of the ionization of the Local Interstellar Cloud (LIC) by directly observed sources including nearby stellar extreme ultraviolet (EUV) sources and the diffuse emission of the Soft X-ray Background (SXRB). In addition, we model the important, unobserved EUV emission both from the hot gas responsible for the SXRB and from a possible evaporative boundary between the LIC and the hot gas. We show that these ionization sources can provide the necessary ionization and heating of the cloud to match observations. Including the radiation from the conductive boundary, while not required, does improve the agreement with observations of the temperature of the LIC. The ionization predicted in our models shows good agreement with pickup ion results, interstellar absorption line data towards epsilon CMa, and EUV opacity measurements of nearby white dwarf stars. The areas of disagreement point to a possible underabundance (relative to solar abundance) of neon in the LIC. The presence of dust in the cloud, or at least depleted abundances, is necessary to maintain the heating/cooling balance and reach the observed temperature.

Slavin, Jonathan D.↗

Thermal analysis of Bridgman-Stockbarger growth

A thermal analysis of a cylindrical HgCdTe sample in a Bridgman-Stockbarger crystal growth configuration was conducted with emphasis on the thermal profile, interface shape and position, and the thermal gradients at the liquid-solid interface. Alloys of HgTe and CdTe with compositions approximating 20 percent CdTe, 80 percent HgTe were used. This composition results in a bandgap suited for the detection of 10.6 micron CO2 radiation. The sensitivity of the sample thermal characteristics to important growth parameters, such as thermal diffusivities, thermal conductivities, furnace temperature profile, ampoule dimensions, and growth velocity was assessed. Numerical techniques and associated computational models necessary to analyze the heat transfer process within the sample and the Bridgman-Stockbarger boundary conditions were developed. This thermal analysis mode was programmed in FORTRAN V, and is currently operational on the MSFC Univac 1100 system.

Knopf, F. W.↗

The growth of metastable peritectic compounds

The influence of gravitationally driven thermosolutal convection on the directional solidification of peritectic alloys is considered as well as the relationships between the solidification processing conditions, and the microstructure, chemistry, and magnetic properties of such alloys. Analysis of directionally solidified Pb-Bi peritectic samples indicates that appreciable macrosegregation occurs due to thermosolutal convection and/or Soret diffusion. A peritectic solidification model which accounts for partial mixing in the liquid ahead of the planar solidification interface and describes macrosegregation has been developed. Two-phase dendritic and banded microstructures were grown in the Pb-Bi peritectic system, refined two-phase microstructures have were observed, and candidate formation mechanisms proposed. Material handling, containment, casting, microstructural and magnetic characterization techniques were developed for the Sm-Co system. Alloys produced with these procedures are homogeneous.

Larson, D. J., Jr.↗

Calculation of vaporization rates assuming various rate determining steps: Application to the resistojet

The various steps that could control the vaporization rate of a material are discussed. These steps include the actual vaporization, flow rate of matrix gas, chemical reaction, gas diffusion, and solid state diffusion. The applicable equations have been collected from diverse appropriate sources, and their use is explained. Rate equations are derived for conditions where more than one step is rate controlling. Calculations are made for two model materials: rhenium which vaporizes congruently, and tantalum carbide which vaporizes incongruently. The case of vaporization under thermal gradient conditions is also treated. The existence of a thermal gradient in the resistojet means that the vaporization rate of a material may be only one thousandth of that predicted under isothermal conditions. Calculations show that rhenium might have a 100,000 hr lifetime at temperature in a 2500 C resistojet. Tantalum carbide would have a life of only 660 sec under similar conditions.

May, C. E.↗