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At least 325 records · Page 18

Growth kinetics of physical vapor transport processes: Crystal growth of the optoelectronic material mercurous chloride

Physical vapor transport processes were studied for the purpose of identifying the magnitude of convective effects on the crystal growth process. The effects of convection on crystal quality were were studied by varying the aspect ratio and those thermal conditions which ultimately affect thermal convection during physical vapor transport. An important outcome of the present study was the observation that the convection growth rate increased up to a certain value and then dropped to a constant value for high aspect ratios. This indicated that a very complex transport had occurred which could not be explained by linear stability theory. Better quality crystals grown at a low Rayleigh number confirmed that improved properties are possible in convectionless environments.

Singh, N. B.↗

Interpretable Tree-Based and Graph Neural Network Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Materials discovery↗

Interpretable ML Approaches for Novel Solid State Electrolyte Design

All-solid-state batteries with Li metal anode can address the safety issues surrounding traditional Li-ion batteries as well as the demand for higher energy densities. However, the development of solid electrolytes simultaneously possessing high ionic conductivity and good chemical and electrochemical stabilities has proven to be a challenge. I will present our informatics approach to explore the Li compound space for promising solid electrolytes using high-throughput multi-property screening and interpretable machine learning. This is accomplished through the generation of a large database of battery-related materials properties of Li compounds. We use tree-based ensemble learning methods and graph neural network approaches to accurately learn relationships between crystal structures and corresponding thermodynamic and kinetic properties, with interpretability being a major focus. Our models give us the ability to enable rapid discovery and design of novel solid-state battery chemistries.

Shreyas J Honrao↗

Kinetics of fracture in Fe-3Si steel under mode I loading

This paper deals with experimental studies of fatigue crack propagation (FCP) in Fe-3Si steel. The FCP experiments were performed on single-edge crack specimens. Results show that an extensive damage zone consisting of slip bands surrounds and precedes the propagating crack. The system of the crack and the damage zone constitutes the crack layer (CL). The results demonstrate that fracture propagates by the translation, expansion, and distortion of the part of CL called the active zone. The contours of the damage distribution show that different loading stresses may cause significantly different shapes of damage. Application of the stability criteria is demonstrated. It was shown that the critical energy release rate depends on the history of loading.

Bessendorf, Michael H.↗

The promising chemical kinetics for the simulation of propane-air combustion with KIVA-II code

The development of chemical kinetics for the simulation of propane-air combustion with the use of computer code KIVA-II since 1989 is summarized here. In order to let readers understand the general feature well, a brief description of the KIVA-II code, specially related with the chemical reactions is also given. Then the results of recent work with 20 reaction mechanism is presented. It is also compared with the 5 reaction mechanism. It may be expected that the numerical stability of the 20 reaction mechanism is better as compared to that of 5 reaction mechanism, but the CPU time of the CRAY computer is much longer. Details are presented in the paper.

Ying, S. J.↗

A numerical study of a marine subtropical stratus cloud layer and its stability

A model for numerical simulation of stratus cloud layers is constructed by combining a second-order closure, turbulent transfer model with a thermal radiative transfer model. The turbulent transfer model allows water vapor saturation. The combined turbulence-radiation model is applied to both a horizontally uniform one-dimensional case and a horizontally nonuniform two-dimensional case. In the latter, the dynamics of mesoscale circulations are also incorporated. Results of the two-dimensional simulation show that the layer cloud instability occurs where the sea surface temperature is high and the large-scale subsidence is weak. The simulated instability is analyzed in view of an instability criterion, the eddy kinetic energy budget, and evaporative cooling near the cloud top.

Moeng, C.-H.↗

The development of directional coarsening of the gamma-prime precipitate in superalloy single crystals

A study has been made of the kinetics of the directional coarsening of the gamma-prime precipitates in Ni-5.8Al-14.6Mo-6.2Ta single crystals during creep at 982 C. In this alloy, which is characterized by a large negative lattice misfit between the gamma-prime precipitate and the gamma matrix, the formation of gamma-prime rafts begins during primary creep, and the rafts grow in length as the deformation proceeds into steady-state creep. After that, the length of the rafts stabilizes. The thickness of the rafts remains constant from primary up to tertiary creep. The directional coarsening behavior of the alloy studied is similar to that of a more conventional single-crystal superalloy having a substantially smaller negative misfit.

Mackay, R. A.↗

Micromolecular modeling

A reaction kinetics based model of the photodegradation process, which measures all important rate constants, and a computerized model capable of predicting the photodegradation rate and failure modes of a 30 year period, were developed. It is shown that the computerized photodegradation model for polyethylene correctly predicts failure of ELVAX 15 and cross linked ELVAX 150 on outdoor exposure. It is indicated that cross linking ethylene vinyl acetate (EVA) does not significantly change its degradation rate. It is shown that the effect of the stabilizer package is approximately equivalent on both polymers. The computerized model indicates that peroxide decomposers and UV absorbers are the most effective stabilizers. It is found that a combination of UV absorbers and a hindered amine light stabilizer (HALS) is the most effective stabilizer system.

Guillet, J. E.↗

Simultaneous Raman-Rayleigh-LIF Measurements and Numerical Modeling Results of a Lifted H2/N2 Turbulent Jet Flame in a Vitiated Coflow

An experimental and numerical investigation is presented of a H2/N2 turbulent jet flame burner that has a novel vitiated coflow. The vitiated coflow emulates the recirculation region of most combustors, such as gas turbines or furnaces. Additionally, since the vitiated gases are coflowing, the burner allows for exploration of recirculation chemistry without the corresponding fluid mechanics of recirculation. Thus the vitiated coflow burner design facilitates the development of chemical kinetic combustion models without the added complexity of recirculation fluid mechanics. Scalar measurements are reported for a turbulent jet flame of H2/N2 in a coflow of combustion products from a lean ((empty set) = 0.25) H2/Air flame. The combination of laser-induced fluorescence, Rayleigh scattering, and Raman scattering is used to obtain simultaneous measurements of the temperature, major species, as well as OH and NO. Laminar flame calculation with equal diffusivity do agree when the premixing and preheating that occurs prior to flame stabilization is accounted for in the boundary conditions. Also presented is an exploratory pdf model that predicts the flame's axial profiles fairly well, but does not accurately predict the lift-off height.

Cabra, R.↗

The Effect of Microgravity on Flame Spread over a Thin Fuel

A flame spreading over a thermally thin cellulose fuel was studied in a quiescent microgravity environment. Flame spread over two different fuel thicknesses was studied in ambient oxygen-nitrogen environments from the limiting oxygen concentration to 100 percent oxygen at 1 atm pressure. Comparative normal-gravity tests were also conducted. Gravity was found to play an important role in the mechanism of flame spread. In lower oxygen environments, the buoyant flow induced in normal gravity was found to accelerate the flame spread rate as compared to the microgravity flame spread rates. It was also found to stabilize the flame in oxidizer environments, where microgravity flames in a quiescent environment extinguish. In oxygen-rich environments, however, it was determined that gravity does not play an important role in the flame spread mechanism. Fuel thickness influences the flame spread rate in both normal gravity and microgravity. The flame spread rate varies inversely with fuel thickness in both normal gravity and in an oxygen-rich microgravity environment. In lower oxygen microgravity environments, however, the inverse relationship breaks down because finite-rate kinetics and heat losses become important. Two different extinction limits were found in microgravity for the two thicknesses of fuel. This is in contrast to the normal-gravity extinction limit, which was found to be independent of fuel thickness. In microgravity the flame is quenched because of excessive thermal losses, whereas in normal gravity the flame is extinguished by blowoff.

Olson, Sandra L.↗

The stability of thick, self-gravitating disks in protostellar systems

Using numerical hydrodynamics techniques, we perform a nonlinear stability analysis of accretion disk systems that contain thick, self-gravitating disks. The systems are initially represented by a point mass M(sub c) at the center and a geometrically thick, axisymmetric disk of mass M(sub d) that supports uniform specific angular momentum and obeys an n = 3/2, polytropic equation of state. The equilibrium disk structure is uniquely defined upon the specification of two key dimensionless system parameters: M(sub d)/M(sub c) and T/absolute value of W (the ratio of rotational kinetic energy if the disk to the gravitational potential energy of the system). The focus of this work is on the identification of systems within this two-dimensional parameter space that are marginally unstable toward the development of nonaxisymmetric distortions. The geometric form and relative pattern speed of the disk's distortion as well as the likelihood of disk fragmentation as a result of such instabilities is examined, particularly in the context of protostellar systems. The value of T/absolute value of W at which thick disks first become dynamically unstable to nonaxisymmetric distortions is found to vary significantly with the mass ratio of the accertion disk system. Nonaxisymmetric eigenmodes with four distinctly different characters are identified in systems with mass ratios in the range 0.2 less than or equal to (M(sub d)/M(sub c)) less than or equal to 5.

Woodward, John W.↗

Streaming tearing mode

The magnetohydrodynamic stability of streaming tearing mode is investigated numerically. A bulk plasma flow parallel to the antiparallel magnetic field lines and localized in the neutral sheet excites a streaming tearing mode more strongly than the usual tearing mode, particularly for the wavelength of the order of the neutral sheet width (or smaller), which is stable for the usual tearing mode. Interestingly, examination of the eigenfunctions of the velocity perturbation and the magnetic field perturbation indicates that the streaming tearing mode carries more energy in terms of the kinetic energy rather than the magnetic energy. This suggests that the streaming tearing mode instability can be a more feasible mechanism of plasma acceleration than the usual tearing mode instability.

Shigeta, M.↗

Laboratory experiments on stability and entrainment of oceanic stratocumulus. Part 1: Instability experiment

The existence and persistence of marine stratocumulus play a significant role in the overall energy budget of the earth. Their stability and entrainment process are important in global climate studies, as well as for local weather forecasting. The purposes of the experimental simulations are to study this process and to address this paradox. The effects of buoyancy reversal is investigated, followed by two types of experiments. An instability experiment involves the behavior of a fully turbulent wake near the inversion generated by a sliding plate. Due to buoyancy reversal, the heavy, mixed fluid starts to sink, turning the potential energy created by the mixing process into kinetic energy, thereby increasing the entrainment rate. An entrainment experiment, using a vertically oscillating grid driven by a controllable speed motor, produces many eddy-induced entrainments at a surface region on scales much less than the depth of the layer.

Shy, Shenqyang S.↗

Test verification of LOX/RP-1 high-pressure fuel/oxidizer-rich preburner designs

Two fuel-rich and two oxidizer-rich preburner injectors are tested with LOX/RP-1 in an investigation of performance, stability and gas temperature uniformity over a chamber pressure range from 1292 to 2540 psia. Fuel-rich mixture ratios range from 0.238 to 0.367 and oxidizer-rich mixture ratios range from 27 to 48, and carbon deposition data are collected by measuring the pressure drop across a turbine simulator flow device. The oxidizer-rich testing demonstrates the feasibility of oxidizer-rich preburners, indicating equilibrium combustion as predicted, and the measured fuel-rich gas composition and C-asterisk performance are in excellent agreement with kinetic model predictions indicating kinetically-limited combustion.

Lawver, B. R.↗

Sunspots and the physics of magnetic flux tubes. I - The general nature of the sunspot. II - Aerodynamic drag

Analysis of the dynamical stability of a large flux tube suggests that the field of a sunspot must divide into many separate tubes within the first 1000 km below the surface. Buoyancy of the Wilson depression at the visible surface and probably also a downdraft beneath the sunspot hold the separate tubes in a loose cluster. Convective generation of Alfven waves, which are emitted preferentially downward, cools the tubes. Aerodynamic drag on a slender flux tube stretched vertically across a convective cell is also studied. Since the drag is approximately proportional to the local kinetic energy density, the density stratification weights the drag in favor of the upper layers. Horizontal motions concentrated in the bottom of the convective cell may reverse this density effect. A downdraft of about two km/sec through the flux tubes beneath the sunspot is hypothesized.

Parker, E. N.↗

The evolution of chromosomal instability in Chinese hamster cells: a changing picture?

PURPOSE: To investigate the kinetics of chromosomal instability induced in clones of Chinese hamster cells following X-irradiation. MATERIALS AND METHODS: X-irradiated clones of GM10115, human-hamster hybrid cells containing a single human chromosome 4 (HC4), have been previously established. These clones were defined as unstable if they contained > or = three subpopulations of cells with unique rearrangements of HC4 as detected by FISH. Stable and unstable clones were analysed by FISH and Giemsa staining at various times post-irradiation. RESULTS: While most of the stable clones continued to show chromosomal stability of HC4 over time, one became marginally unstable at approximately 45 population doublings post-irradiation. Clones exhibiting chromosomal instability had one of several fates. Many of the unstable clones were showed similar levels of instability over time. However, one unstable clone became stable with time in culture, while another became even more unstable over time. Cytogenetic analyses of all clones after Giemsa staining indicated that in some clones the hamster chromosomes were rearranged independent of HC4, demonstrating increased frequencies of chromatid breaks and dicentric chromosomes. The majority of the unstable clones also had higher yields of chromatid gaps. CONCLUSIONS: These data demonstrate the dynamic nature of chromosomal instability as measured by two different cytogenetic assays.

Non-NASA Center↗

The origin of stellar winds - Subatmospheric nonthermal storage modes versus radiation pressure

Most current models of matter-flux in hot stars place its origin in radiation pressure, and then model the flow explicitly to produce no chromosphere-corona. Our model of the stellar atmosphere as a transition zone between stellar interior and interstellar medium places the origin of matter-flux, chromosphere-corona, and spectral 'emission classes' in subatmospheric nonthermal kinetic energy storage, equally for all stars, hot or cold. Current observations of both hot and cold stars suggest chromospheres to be a universal phenomenon, correlated with matter-fluxes, and enhanced in 'emission-class' stars. To clarify the difference between the two kinds of models above, we reformulate the wind-tunnel analogy to stellar winds, suggesting that stars satisfy an 'imperfect,' rather than 'perfect,' such model; i.e., transonic shocks occur before the throat, corresponding to an imposed outward velocity in the storage section, or subatmosphere. We then investigate the stability of an arbitrary stellar atmosphere, hot or cold, to suggest a cause for such an outward subatmospheric velocity.

Cannon, C. J.↗

Kinetics of the Reaction C2H + O2 from 193 to 350 K Using Laser Flash Kinetic Infrared Absorption Spectroscopy

Rate coefficients for the reaction C2H + O2 are measured from 193 to 350 K by using transient absorption spectroscopy with an infrared color center laser. Ethynyl radicals are produced by pulsed laser photolysis of C2H2 in a temperature variable flow cell and a tunable color center laser probes the transient removal Of C2H ((bar-X(sup 2))Sigma(+))(0,0,0)) in absorption. The rate coefficient has a slight negative temperature dependence over the range 193-350 K which can be expressed as k(O2) = (1.5 +/- 0.3) x 10(exp -11) exp((230 +/- 36)/T) Cu cm/(Molecule.s). The lack of a pressure dependence under our experimental conditions strongly suggests that the HCCOO* complex is short lived with respect to encountering a collision and rapidly dissociates to products without competition from collisional stabilization to HCCOO or collisionally induced dissociation to reactants.

Opansky, Brian J.↗