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At least 289 records · Page 16

Inviscid spatial stability of a compressible mixing layer. II - The flame sheet model

The results of an inviscid spatial calculation for a compressible reacting mixing layer are reported. The limit of infinitive activation energy is taken and the diffusion flame is approximated by a flame sheet. Results are reported for the phase speeds of the neutral waves and maximum growth rates of the unstable waves as a function of the parameters of the problem: the ratio of the temperature of the stationary stream to that of the moving stream, the Mach number of the moving streams, the heat release per unit mass fraction of the reactant, the equivalence ratio of the reaction, and the frequency of the disturbance. These results are compared to the phase speeds and growth rates of the corresponding nonreacting mixing layer. We show that the addition of combustion has important and complex effects on the flow stability.

Jackson, T. L.↗

Photoionization of the diffuse interstellar medium and galactic halo by OB associtations

Assuming smoothly varying H I distributions in te Galactic disk, we have calculated the geometry of diffuse II regions due to OB associations in the Galactic plane. Near the solar circle, OB associations with a Lyman continuum (Lyc) photon luminosity Psi(sub Lyc) = 3.3 x 10(exp 7) cm(exp -2) s(exp -1), produce H II regions that are density bounded in the vertical direction (H II chimneys) allowing Lyc to escape the gaseous disk and penetrate into the Galactic halo. We provide analytic formulae for the Lyc escape fraction as functions of S(sub 0) O-star catalog of Garmany and a new Lyc stellar stellar Lyc stellar flux calibration, we find a production rate of Lyc photons by OB associations within 2.5 kpc of Psi(sub Lyc) = 3.3 x 10(exp 7) cm(exp -2) s(exp -1). Integrating the fraction of Lyc photons that escape the disk over our adopted luminosity function of OB associations, we estimate that approximately 7% of the ionizing photons, or Phi(sub Lyc) = 2.3 x 10(exp 6) cm(exp -2) s(exp -1), escape each side of the H I disk layer and penetrate the diffuse ionized medium ('Reynolds layer'). This flux is sufficient to explain the potoionization of this, although we have not constructed a model for the observed H-alpha emission and pulsar dispersion measures that is fully consistent with the absorption rate of Lyc in the H II layer. Since our quiescent model does not account for the effects of dynamic chimneys and superbubbles, which should enhance Lyc escape, we conclude the O stars are the probable source of ionizing radiation for the Reynolds layer. For a random distribution of OB associations throughout the disk, the Lyc flux is nearly uniform for heights Z is greater than approximately 0.8 kpc above the midplane.

Dove, James B.↗

Computation of turbulent boundary layer flows with an algebraic stress turbulence model

An algebraic stress turbulence model is presented, characterized by the following: (1) the eddy viscosity expression is derived from the Reynolds stress turbulence model; (2) the turbulent kinetic energy dissipation rate equation is improved by including a production range time scale; and (3) the diffusion coefficients for turbulence equations are adjusted so that the kinetic energy profile extends further into the free stream region found in most experimental data. The turbulent flow equations were solved using a finite element method. Examples include: fully developed channel flow, fully developed pipe flow, flat plate boundary layer flow, plane jet exhausting into a moving stream, circular jet exhausting into a moving stream, and wall jet flow. Computational results compare favorably with experimental data for most of the examples considered. Significantly improved results were obtained for the plane jet flow, the circular jet flow, and the wall jet flow; whereas the remainder are comparable to those obtained by finite difference methods using the standard kappa-epsilon turbulence model. The latter seems to be promising with further improvement of the expression for the eddy viscosity coefficient.

Kim, Sang-Wook↗

Multi-physics Peridynamic Modeling of Damage Processes in Protective Coatings

Protective coatings can revolutionize the aerospace industry by providing a way to build a fuel-efficient and low-emission gas turbine engine operating at elevated temperature. Currently, significant challenges persist in the multi-physics modeling of damage processes in protective coatings exposed to the hot corrosive environment of gas turbine engine. Examples of such detrimental processes include an interface damage between different material layers forming protective coating, a formation of the through-the-thickness vertical cracks, a diffusion of oxygen and moisture through those cracks, an oxidation, and a delamination. In this paper, a feasibility of a multi-physics peridynamic model to provide insight to these detrimental processes has been demonstrated. 3-Dimensional peridynamic equations which are valid everywhere, including dynamically evolving discontinuities, have been presented. In conclusion, validation and demonstration have been shown for conduction heat transfer, reactive oxidation, and delamination of protective coating with a composition borrowed from the open literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nucleation-mediated reshaping of facetted metallic nanocrystals: Breakdown of the classical free energy picture

Shape stability is key to avoiding degradation of performance for metallic nanocrystals synthesized with facetted non-equilibrium shapes to optimize properties for catalysis, plasmonics, and so on. Reshaping of facetted nanocrystals is controlled by the surface diffusion-mediated nucleation and growth of new outer layers of atoms. Here, Kinetic Monte Carlo (KMC) simulation of a realistic stochastic atomistic-level model is applied to precisely track the reshaping of Pd octahedra and nanocubes. Unexpectedly, separate constrained equilibrium Monte Carlo analysis of the free energy profile during reshaping reveals a fundamental failure of the classical nucleation theory (CNT) prediction for the reshaping barrier and rate. Why? Nucleation barriers can be relatively low for these processes, so the system is not locally equilibrated before crossing the barrier, as assumed in CNT. This claim is supported by an analysis of a first-passage problem for reshaping within a master equation framework for the model that reasonably captures the behavior in KMC simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of an Advanced Clothing Model that Considers Heat and Moisture Transport

Despite recent advancements in the development of human thermal physiology models, clothing is often considered in only a rudimentary manner, that is, as a boundary condition at the skin characterized by its bulk thermal and evaporative impedances. While such an approach may be sufficient for thermoregulation modeling of humans operating in relatively low thermal burden scenarios, e.g., within an office environment, a clothing thermal model that does not explicitly consider the layer-to-layer transport of vapor can yield incorrect results, especially under conditions corresponding to high thermal stress or extreme environments. For example, vapor diffusing through layers of clothing can reach its dew point, in which case a phase change will occur that can fundamentally affect the transport of moisture and heat within the clothing ensemble. Specifically, the evaporation and condensation of moisture within the fabric layers can affect liquid content and temperature and, ultimately, affect thermo-physiological response and thermal comfort perception. Development of an advanced clothing model that considers heat and moisture transport within the fabric layers can improve the accuracy of human thermal predictions in scenarios where clothing-based condensation and evaporation occur. This paper describes how a general heat transfer software modeling tool was modified to consider the transport of vapor, the storage of liquid, and the thermal effects of phase change within a clothing ensemble. The advanced clothing moisture model was tested by comparing its predictions to measurements derived from sweating hot plate experiments and human physiological experiments. The model was able to reproduce the thermal and moisture results from tests performed under conditions in which condensation within the clothing layers was known to occur. This study demonstrates the importance of considering layer-to-layer vapor transport in clothing models and its impact on human thermal modeling predictions.

Human thermal modeling↗

A subgrid mixing model for LES of nonpremixed turbulent combustion

A new sub-grid mixing model for use in large eddy simulations of turbulent combustion is presented and applied to a hydrogen-air diffusion flame. The sub-grid model is based on Kerstein's Linear Eddy Model (1988). The model is first used to predict the mixing of a conserved scalar in a turbulent shear flow. The model correctly predicts the behavior of the pdf of the scalar field and displays a nonmarching peak at the preferred mixture fraction as the shear layer is traversed. It is then illustrated how a reduced chemical mechanism can be implemented within the linear eddy subgrid model formulation. The model is used to predict NO formation in hydrogen-air diffusion flame using a reduced chemical mechanism involving nine reactive scalars.

Mcmurtry, P. A.↗

Prediction and evaluation of eddy-viscosity models for free mixing

Analysis for the turbulent mixing of free jets is presented in this paper and compared to recent experimental results. A turbulent mass diffusion model is presented and is based on the concentration potential core. The model yielded good results when compared with the experimental results except for low-speed flows where few experimental data are available. A review of recent experimental results verifies again that the three diffusion processes in turbulent mixing are interrelated; however, no single diffusion model may be used for all three processes. This is especially true when pressure gradients are present in the flow field. It is shown that even though momentum diffusion is significantly affected by pressure gradients, mass diffusion is not. It is further indicated that the mass diffusion model has been derived and is based on the accurate correlations of experimental results obtained for the concentration potential core. Similar techniques may be used in deriving an expression for the momentum and thermal diffusion coefficients. These expressions would be more complicated since they would have to take care of the boundary layer at the start of the mixing region. Finally, a comparison of the analyses, using this particular model and Ferri's model, with available experimental results is made.

Zakkay, V.↗

A new approach for simulating inhomogeneous chemical kinetics

Abstract In this paper, inhomogeneous chemical kinetics are simulated by describing the concentrations of interacting chemical species by a linear expansion of basis functions in such a manner that the coupled reaction and diffusion processes are propagated through time efficiently by tailor-made numerical methods. The approach is illustrated through modelling $$\alpha$$ α - and $$\gamma$$ γ -radiolysis in thin layers of water and at their solid interfaces from the start of the chemical phase until equilibrium was established. The method’s efficiency is such that hundreds of such systems can be modelled in a few hours using a single core of a typical laptop, allowing the investigation of the effects of the underlying parameter space. Illustrative calculations showing the effects of changing dose-rate and water-layer thickness are presented. Other simulations are presented which show the approach’s capability to solve problems with spherical symmetry (an approximation to an isolated radiolytic spur), where the hollowing out of an initial Gaussian distribution is observed, in line with previous calculations. These illustrative simulations show the generality and the computational efficiency of this approach to solving reaction-diffusion problems. Furthermore, these example simulations illustrate the method’s suitability for simulating solid-fluid interfaces, which have received a lot of experimental attention in contrast to the lack of computational studies.

97 MATHEMATICS AND COMPUTING↗

Stochastic histories of dust grains in the interstellar medium

The purpose is to study an evolving system of refractory dust grains within the Interstellar Medium (ISM). This is done via a combination of Monte Carlo processes and a system of partial differential equations, where refractory dust grains formed within supernova remnants and ejecta from high mass loss stars are subjected to the processes of sputtering and collisional fragmentation in the diffuse media and accretion within the cold molecular clouds. In order to record chemical detail, the authors take each new particle to consist of a superrefractory core plus a more massive refractory mantle. The particles are allowed to transfer to and fro between the different phases of the interstellar medium (ISM) - on a time scale of 10(exp 8) years - until either the particles are destroyed or the program finishes at a Galaxy time of 6x10(exp 9) years. The resulting chemical and size spectrum(s) are then applied to various astrophysical problems with the following results. For an ISM which has no collisional fragmentation of the dust grains, roughly 10 percent by mass of the most refractory material survives the rigors of the ISM intact, which leaves open the possibility that fossilized isotopically anomalous material may have been present within the primordial solar nebula. Stuctured or layered refractory dust grains within the model cannot explain the observed interstellar depletions of refractory material. Fragmentation due to grain-grain collisions in the diffuse phase plus the accretion of material in the molecular cloud phase can under certain circumstances cause a bimodal distribution in grain size.

Liffman, Kurt↗

IRAS detection of very cold dust in the Lynds 134 cloud complex

IRAS maps at 60 and 100 microns of the complex of dark clouds containing L1345, L183, and L1780 are presented and discussed. Extended regions are apparent where the 60 micron emission is very low compared to the 100 micron emission. The 60-100 micron flux ratio has a constant value of 0.2 in the outer diffuse parts of the clouds but suddenly drops to less than 0.03 in the opaque cloud centers. A geometrical model is used to show that the drop occurs in a narrow transition layer that has not been resolved by IRAS. The observations provide direct evidence for dust temperatures colder than 15 K in dark clouds. A number of 60 micron-deficient regions are defined using the quantity Delta I(100) = I(60)/Theta, where Theta is the ratio I(60)/I(100) in the diffuse parts of the complex. Delta I(100) is highly proportional to extinction and (C-13)O column density. The relationships indicate that the dust temperature must be constant over a large fraction of the volume sampled by Delta I(100). An upper limit of 4.8 g/sq cm is obtained for the mass absorption coefficient of dust at 100 microns.

Laureijs, R. J.↗

Critical Practices in Rigorously Assessing the Inherent Activity of Nanoparticle Electrocatalysts

Accurate activity measurements for electrocatalytic materials are the backbone of impactful electrocatalyst research. Inherent to accurate measurements is the correct accounting of the active catalyst sites and the design of experiments to ensure that these sites are participating in the measured reaction. Improvements in electrocatalyst activity for fuel cell reactions (hydrogen oxidation and oxygen reduction) are essential for the widespread adoption of this carbon-neutral energy source. Activities for these half-reactions can be reported in a variety of ways including specific activities, mass activities, volumetric activities, and half-wave potentials. These values are traditionally measured with a rotating disk electrode (RDE) in which the electrocatalyst is supported on a porous active layer film attached to the RDE. To accurately measure electrocatalyst activity with an RDE, two major sources of errors must be addressed: (i) accurate electrochemical surface area (ECSA) quantification and (ii) fast diffusion of reactants through the active layer film. In this contribution, we first aim to detail through RDE experiments and mass transport modeling the potential errors that can be observed when these factors are not properly addressed. We then present recommendations and discuss techniques for properly constructing electrocatalyst thin films and characterizing the ECSA on monometallic and novel alloy electrocatalysts. These practices, when adopted, ensure greater confidence and reliability in reports of electrocatalyst activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time Evolution and Diurnal Variability of the Parametric Sensitivity of Turbine-Height Winds in the MYNN-EDMF Parameterization

The Mellor-Yamada-Nakanishi-Niino (MYNN) parameterization applied in the Weather Research and Forecasting (WRF) model has been augmented to include the Eddy-Diffusion Mass-Flux (EDMF) approach to better represent transport by boundary-layer eddies. This change includes the addition of new parameters associated with convective updrafts and boundary-layer clouds. These additions lead to new parametric sensitivities in the hub-height wind speed compared to simulations using the standard MYNN parameterization that were explored previously. This work builds on efforts focused on WRF’s MYNN parameterization by examining the sensitivity of hub-height wind speed to parameters in the MYNN-EDMF parameterization as a function of simulation lead time. Summer and winter periods were selected from the second Wind Forecast Improvement Project (WFIP2). Five sets of simulations were completed for each season, with lead times ranging from 2 to 6 days. The results show that the sensitivity to the new parameters associated with the EDMF scheme is generally small compared to other parameters, with the largest impact in convective boundary layers. The spread in the perturbed parameter ensembles was found to grow quickly over the first 8 to 19 hours in the summer simulations and 17 to 24 hours in the winter simulations with little change after that, regardless of the simulation length. A strong diurnal cycle in the parameter sensitivity was also found associated with changes in the atmospheric stability, as well as an increase in the sensitivity to the entrainment parameter used in the EDMF parameterization that is associated with increasing fractional areas covered by plumes.

54 ENVIRONMENTAL SCIENCES↗

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Law, C. K.↗

Numerical simulation of compressible, turbulent, two-phase flow

A computer program for numerically simulating compressible, turbulent, two-phase flows is described and applied. Special attention is given to flows in which dust is ingested into the turbulent boundary layer behind shock waves moving over the earth's surface. it is assumed that the two phases are interpenetrating continua which are coupled by drag forces and heat transfer. The particle phase is assumed to be dilute, and turbulent effects are modeled by zero- and two-equation eddy viscosity models. An important feature of the turbulence modeling is the treatment of surface boundary conditions which control the ingestion of particles into the boundary layer by turbulent friction and diffusion. The numerical method uses second-order implicit upwind differencing of the inviscid terms of the equations and second-order central differencing of the viscous terms. A diagonal form of the implicit algorithm is used to improve efficiency, and the transformation to a curvilinear coordinate system is accomplished by the finite volume techniques. Applications to a series of representative flows include a two-phase nozzle flow, the steady flow of air over a sand bed, and the air flow behind a normal shock wave in uniform motion over a sand bed. Results of the latter two applications are compared with experimental results.

Coakley, t. J.↗

SiC Recession Due to SiO2 Scale Volatility Under Combustion Conditions: Thermodynamics and Gaseous Diffusion Model - Part 2

In combustion environments, volatilization of SiO2 to Si-O-H(g) species is a critical issue. Available thermochemical data for Si-O-H(g) species were used to calculate boundary layer controlled fluxes from SiO2. Calculated fluxes were compared to volatilization rates Of SiO2 scales grown on SiC which were measured in Part 1 of this paper. Calculated volatilization rates were also compared to those measured in synthetic combustion gas furnace tests. Probable vapor species were identified in both fuel-lean and fuel-rich combustion environments based on the observed pressure, temperature and velocity dependencies as well as the magnitude of the volatility rate. Water vapor is responsible for the degradation of SiO2 in the fuel-lean environment. Silica volatility in fuel-lean combustion environments is attributed primarily to the formation of Si(OH)4(g) with a small contribution of SiO(OH)2(g).

Opila, Elizabeth J.↗

Magnetic Flux Compression Reactor Concepts for Spacecraft Propulsion and Power (MSFC Center Director's Discretionary Fund; Project No. 99-24)

This technical publication (TP) examines performance and design issues associated with magnetic flux compression reactor concepts for nuclear/chemical pulse propulsion and power. Assuming that low-yield microfusion detonations or chemical detonations using high-energy density matter can eventually be realized in practice, various magnetic flux compression concepts are conceivable. In particular, reactors in which a magnetic field would be compressed between an expanding detonation-driven plasma cloud and a stationary structure formed from a high-temperature superconductor are envisioned. Primary interest is accomplishing two important functions: (1) Collimation and reflection of a hot diamagnetic plasma for direct thrust production, and (2) electric power generation for fusion standoff drivers and/or dense plasma formation. In this TP, performance potential is examined, major technical uncertainties related to this concept accessed, and a simple performance model for a radial-mode reactor developed. Flux trapping effectiveness is analyzed using a skin layer methodology, which accounts for magnetic diffusion losses into the plasma armature and the stationary stator. The results of laboratory-scale experiments on magnetic diffusion in bulk-processed type II superconductors are also presented.

Litchford, R. J.↗

Simple Two-Dimensional Corrections for One-Dimensional Pulse Tube Models

One-dimensional oscillating flow models are very useful for designing pulse tubes. They are simple to use, not computationally intensive, and the physical relationship between temperature, pressure and mass flow are easy to understand when used in conjunction with phasor diagrams. They do not possess, however, the ability to directly calculate thermal and momentum diffusion in the direction transverse to the oscillating flow. To account for transverse effects, lumped parameter corrections, which are obtained though experiment, must be used. Or two-dimensional solutions of the differential fluid equations must be obtained. A linear two-dimensional solution to the fluid equations has been obtained. The solution provides lumped parameter corrections for one-dimensional models. The model accounts for heat transfer and shear flow between the gas and the tube. The complex Nusselt number and complex shear wall are useful in describing these corrections, with phase relations and amplitudes scaled with the Prandtl and Valensi numbers. The calculated ratio, a, between a two-dimensional solution of the oscillating temperature and velocity and a one-dimensional solution for the same shows a scales linearly with Va for Va less than 30. In this region alpha less than 0.5, that is, the enthalpy flow calculated with a two-dimensional model is 50% of a calculation using a one-dimensional model. For Va greater than 250, alpha = 0.8, showing that diffusion is still important even when it is confined to a thing layer near the tube wall.

Lee, J. M.↗