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At least 1,189 records · Page 66

Buoyancy Effects on Flow Transition in Hydrogen Gas Jet Diffusion Flames

Experiments were performed in earth-gravity to determine how buoyancy affected transition from laminar to turbulent flow in hydrogen gas jet diffusion flames. The jet exit Froude number characterizing buoyancy in the flame was varied from 1.65 x 10(exp 5) to 1.14 x 10(exp 8) by varying the operating pressure and/or burner inside diameter. Laminar fuel jet was discharged vertically into ambient air flowing through a combustion chamber. Flame characteristics were observed using rainbow schlieren deflectometry, a line-of-site optical diagnostic technique. Results show that the breakpoint length for a given jet exit Reynolds number increased with increasing Froude number. Data suggest that buoyant transitional flames might become laminar in the absence of gravity. The schlieren technique was shown as effective in quantifying the flame characteristics.

Albers, Burt W.↗

Numerical simulation of the Gulf Stream and Mid-Ocean eddies

Oceanographic field measurements have revealed intense, transient mesoscale motions in many parts of the world ocean. The circulation of the western North Atlantic, considered in the present study as a rectangular basin, is simulated with a primitive equation model that has five levels and a horizontal grid size of 37 km. The model ocean is driven by a 2.5 gyre pattern of steady zonal wind stress and by a Newtonian-type surface heating. Two cases are considered: the first uses a Laplacian formulation for the subgrid-scale lateral diffusions of heat and momentum; the second uses a highly scale-selective biharmonic formulation for these diffusions. An analysis of the heat transport, in the biharmonic experiment, shows that the horizontal transport of heat by eddies is much larger than the subgrid-scale horizontal heat diffusion. In the Gulf Stream region, the eddy heat transport is comparable to the effect of a lateral diffusion coefficient of 10 to the 7th sq cm/s.

Semtner, A. J., Jr.↗

Formation of a conical distribution and intense ion heating in the presence of hydrogen cyclotron waves

In the considered investigation, it is assumed that the field aligned currents are responsible for producing electrostatic harmonic cyclotron waves (EHC). Using a one-dimensional simulation model in which the electron velocity distribution is maintained by a constant injection of the initial distribution, it is shown that, in contrast to earlier initial value simulations, EHC waves grow to a large amplitude, resulting in the formation of an anisotropic ion velocity distribution. Both the heating rate and the anisotropy are in reasonable agreement with the quasi-linear theory, taking into account the cyclotron resonance. The results show that the saturation is due to the combined effects of wave induced diffusion in an electron velocity space and the heating of ions perpendicularly. Both these effects reduce the growth rate.

Okuda, H.↗

Process Research on Polycrystalline Silicon Material (PROPSM)

Results of hydrogen-passivated polycrystalline silicon solar cells are summarized. Very small grain or short minority-carrier diffusion length silicon was used. Hydrogenated solar cells fabricated from this material appear to have effective minority-carrier diffusion lengths that are still not very long, as shown by the open-circuit voltages of passivated cells that are still significantly less than those of single-crystal solar cells. The short-circuit current of solar cells fabricated from large-grain cast polycrystalline silicon is nearly equivalent to that of single-crystal cells, which indicates long bulk minority-carrier diffusion length. However, the open-circuit voltage, which is sensitive to grain boundary recombination, is sometimes 20 to 40 mV less. The goal was to minimize variations in open-circuit voltage and fill-factor caused by defects by passivating these defects using a hydrogenation process. Treatments with molecular hydrogen showed no effect on large-grain cast polycrystaline silicon solar cells.

Culik, J. S.↗

Thermal diffusivity and thermal conductivity of SiC composite tubes: the effects of microstructure and irradiation

Cladding thermal conductivity is an important physical property in assessing the performance of silicon carbide (SiC)-cladded fuels for nuclear reactors. However, there is a significant lack of reliable data, particularly for irradiated materials, because the geometry complicates the measurement. This study investigates the thermal diffusivity of coupons with a curvature, machined from SiC fiber–reinforced SiC matrix composite tubes, with and without neutron irradiation under light water reactor–relevant temperature and dose conditions. The tested materials included full composite and duplex SiC composite tubes. The measurements were conducted using a modern flash diffusivity apparatus. The analyzed area on the specimen during diffusivity testing was reduced for improved measurement accuracy due to sample curvature. Post-irradiation measurements showed that the effects of neutron irradiation on thermal conductivity (e.g. thermal defect resistivity) are different between SiC composite plates versus tubes. The difference was explained by higher matrix density of the tube than the plate. This study provides reliable thermal properties of prototypic SiC composite tubes useful for fuel performance modeling of SiC-based cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Bi-Component Droplet Combustion in Reduced Gravity

This research deals with reduced-gravity combustion of bi-component droplets initially in the mm size range or larger. The primary objectives of the research are to study the effects of droplet internal flows, thermal and solutal Marangoni stresses, and species volatility differences on liquid species transport and overall combustion phenomena (e.g., gas-phase unsteadiness, burning rates, sooting, radiation, and extinction). The research program utilizes a reduced-gravity environment so that buoyancy effects are rendered negligible. Use of large droplets also facilitates visualization of droplet internal flows, which is important for this research. In the experiments, droplets composed of low- and high-volatility species are burned. The low-volatility components are initially present in small amounts. As combustion of a droplet proceeds, the liquid surface mass fraction of the low-volatility component will increase with time, resulting in a sudden and temporary decrease in droplet burning rates as the droplet rapidly heats to temperatures close to the boiling point of the low-volatility component. This decrease in burning rates causes a sudden and temporary contraction of the flame. The decrease in burning rates and the flame contraction can be observed experimentally. Measurements of burning rates as well as the onset time for flame contraction allow effective liquid-phase species diffusivities to be calculated, e.g., using asymptotic theory. It is planned that droplet internal flows will be visualized in flight and ground-based experiments. In this way, effective liquid species diffusivities can be related to droplet internal flow characteristics. This program is a continuation of extensive ground based experimental and theoretical research on bi-component droplet combustion that has been ongoing for several years. The focal point of this program is a flight experiment (Bi-Component Droplet Combustion Experiment, BCDCE). This flight experiment is under development. However, supporting ground-based studies have been performed. This ground-based research is summarized below.

Shaw, B. D.↗

Bi-Component Droplet Combustion in Reduced Gravity

This research deals with reduced-gravity combustion of bi-component droplets initially in the mm size range or larger. The primary objectives of the research are to study the effects of droplet internal flows, thermal and solutal Marangoni stresses, and species volatility differences on liquid species transport and overall combustion phenomena (e.g., gas-phase unsteadiness, burning rates, sooting, radiation, and extinction). The research program utilizes a reduced gravity environment so that buoyancy effects are rendered negligible. Use of large droplets also facilitates visualization of droplet internal flows, which is important for this research. In the experiments, droplets composed of low- and high-volatility species are burned. The low-volatility components are initially present in small amounts. As combustion of a droplet proceeds, the liquid surface mass fraction of the low-volatility component will increase with time, resulting in a sudden and temporary decrease in droplet burning rates as the droplet rapidly heats to temperatures close to the boiling point of the low-volatility component. This decrease in burning rates causes a sudden and temporary contraction of the flame. The decrease in burning rates and the flame contraction can be observed experimentally. Measurements of burning rates as well as the onset time for flame contraction allow effective liquid-phase species diffusivities to be calculated, e.g., using asymptotic theory. It is planned that droplet internal flows will be visualized in flight and ground-based experiments. In this way, effective liquid species diffusivities can be related to droplet internal flow characteristics. This program is a continuation of extensive ground-based experimental and theoretical research on bi-component droplet combustion that has been ongoing for several years. The focal point of this program is a flight experiment (Bi-Component Droplet Combustion Experiment, BCDCE). This flight experiment is under development. However, supporting ground-based studies have been performed. Some of the most recent ground-based research is summarized.

Shaw, Benjamin D.↗

Requirements for Enabling Extreme Fast Charging of High Energy Density Li-Ion Cells while Avoiding Lithium Plating

To improve electric vehicle market acceptance, the charge time of their batteries should be reduced to 10–15 minutes. However, achieving 4C to 6C charge rates with today’s batteries is only possible for cells with thin electrodes coming at the expense of low energy density and high battery manufacturing cost. An electrochemical model is validated versus high rate charge data for cells with several loadings. The model elucidates that the main limitations for high energy density cells are poor electrolyte transport resulting in salt depletion within the anode and Li plating at the graphite/separator interface. Next, the model is used to understand what future electrode and electrolyte properties can help enable 4C and 6C charging. Ideally, future electrolytes would be identified with 2X conductivity, 3–4X diffusivity, and transference number of 0.5–0.6. Alternatively charging at elevated temperatures enhances electrolyte transport by 1.5X conductivity and 2–3X diffusivity with a negligible effect on transference number. Another effective strategy to enable 4C and 6C charging is reducing electrode tortuosity. Conversely, increasing electrode porosity and negative/positive ratio are ineffective strategies to improve fast charge capability.

Batteries↗

Bi-Component Droplet Combustion in Reduced Gravity

This research deals with reduced-gravity combustion of bi-component droplets initially in the mm size range or larger. The primary objectives of the research are to study the effects of droplet internal flows, thermal and solutal Marangoni stresses, and species volatility differences on liquid species transport and overall combustion phenomena (e.g., gas-phase unsteadiness, burning rates, sooting, radiation, and extinction). The research program utilizes a reduced-gravity environment so that buoyancy effects are rendered negligible. Use of large droplets also facilitates visualization of droplet internal flows, which is important for this research. In the experiments, droplets composed of low- and high-volatility species are burned. The low-volatility components are initially present in small amounts. As combustion of a droplet proceeds, the liquid surface mass fraction of the low-volatility component will increase with time, resulting in a sudden and temporary decrease in droplet burning rates as the droplet rapidly heats to temperatures close to the boiling point of the low-volatility component. This decrease in burning rates causes a sudden and temporary contraction of the flame. The decrease in burning rates and the flame contraction can be observed experimentally. Measurements of burning rates as well as the onset time for flame contraction allow effective liquid-phase species diffusivities to be calculated, e.g., using asymptotic theory. It is planned that droplet internal flows will be visualized in future flight and ground-based experiments. In this way, effective liquid species diffusivities can be related to droplet internal flow characteristics. This program is a continuation of extensive ground based experimental and theoretical research on bi-component droplet combustion that has been ongoing for several years. The focal point of this program is a flight experiment (Bi-Component Droplet Combustion Experiment, BCDCE). This flight experiment is under development. However, supporting studies have been performed. Because of space limitations, only some of the research performed over the last two years (since the 5th Microgravity Combustion Workshop) is summarized here.

Shaw, B. D.↗

Effect of magnetospheric convection on thermal plasma in the inner magnetosphere

The effects of E x B convection on the distribution of plasma parameters in the inner magnetosphere have been examined. Analytical solutions describing density distributions along convective trajectories in the equatorial plane have been found. These solutions suggest the following dependence of plasma concentration n on the magnetic field B along convective trajectories: n proportional to B(exp alpha), where the parameter alpha varies between alpha is less than or = between 4/3 and 2. The alpha = 2 case corresponds to disregarding transport parallel to B. The lower bound alpha = 4/3 describes the situation when parallel transport dominates over convective motions perpendicular to B. A solution has also been obtained describing the effect of convection on diffusive equilibrium profiles in the dayside plasmasphere. In addition, ion temperature variations due to adiabatic effects associated with plasma convection have been analyzed in detail. Convective drifts lead to ion temperature anisotropies with the value and sign of the anisotropy contingent on density and temperature variations, local time, and the location of the convective trajectory with respect to the location of the plasmapause. We have also found that convective motions lead to a substantial exchange of energy between the ionosphere and the plasmasphere through electron heat fluxes.

Khazanov, G. V.↗

A time-dependent diffusion-convection model for the long-term modulation of cosmic rays

The model considered incorporates, to first order, the direct effects of the time-dependent diffusive propagation of interstellar cosmic rays in a slowly changing interplanetary medium. A one-dimensional model is discussed along with a three-dimensional radial wind. An evaluation is conducted of average diffusive propagation times. It is found that the effects of time-dependent diffusive propagation can be quite significant. A rigidity-dependent time delay or 'lag' in the modulated spectra is predicted.

Ogallagher, J. J.↗

Understanding grain refinement and intergranular gas bubble evolution in U-10Mo fuel using phase-field modeling

Monolithic U-10Mo fuel undergoes significant microstructural changes in the form of grain refinement and gas bubble formation during burnup, which degrades its mechanical properties. In this talk, I present a phase-field model for microstructure evolution in U-10Mo developed using the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. Simulations demonstrate that grain refinement initiates at pre-existing grain boundaries (GBs) to eliminate the lattice distortion energy caused by the accumulation of self-interstitial loops. By employing an equation of state for xenon gas, we simulate the evolution of gas bubbles in the polycrystal microstructure. Large, interconnected bubbles are found to form along the triple junctions. The effects of defect production rate, diffusivities and GB mobility on the microstructure evolution are systematically studied. Homogenization is employed on the microstructures to obtain effective elastic constants and diffusivity as a function of fission density. The simulations provide critical insights on microstructure and property degradation in U-10Mo fuel.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Suppressing proximity effects during rapid serial two-photon lithography through tuning of reaction–diffusion kinetics

The ability of two-photon lithography (TPL) to print deterministic nanoporous 3D structures is highly valuable for many applications. However, it is challenging to print such structures rapidly due to the proximity effects that cause closely spaced features to enlarge and merge. A key challenge is the limited understanding of the origins and spatiotemporal dynamics of the long-range proximity effects that extend beyond the optical focal spot. Here, we empirically investigate these proximity effects in serial TPL using custom-made acrylate-based photoresists. We demonstrate that the complex spatiotemporal dynamics of the proximity effects can be explained through the kinetics of the reaction–diffusion photopolymerization mechanisms that underlie the curing process. Specifically, we show that the proximity effects arise due to comparable timescales of reaction and diffusion of oxygen. Furthermore, we demonstrate that long-range proximity effects can be suppressed by introducing phenolic inhibitors, which reduce oxygen consumption through non-inhibiting side reactions and promote faster termination of curing reactions. These insights enabled improving the linewidths from >400 to 260 nm during printing of nanoporous 3D woodpiles at scanning speeds of 50 mm s −1 . Thus, the knowledge generated here can be applied to deterministically tune the proximity effects and enable rapid printing of high-resolution nanoporous 3D structures.

36 MATERIALS SCIENCE↗

Current understanding of point defects and diffusion processes in silicon

The effects of oxidation of Si which established that vacancies (V) and Si self interstitials (I) coexist in Si at high temperatures under thermal equilibrium and oxidizing conditions are discussed. Some essential points associated with Au diffusion in Si are then discussed. Analysis of Au diffusion results allowed a determination of the I component and an estimate of the V component of the Si self diffusion coefficient. A discussion of theories on high concentration P diffusion into Si is then presented. Although presently there still is no theory that is completely satisfactory, significant progresses are recently made in treating some essential aspects of this subject.

Tan, T. Y.↗

Social network structure and the spread of complex contagions from a population genetics perspective

Ideas, behaviors, and opinions spread through social networks. If the probability of spreading to a new individual is a non-linear function of the fraction of the individuals’ affected neighbors, such a spreading process becomes a “complex contagion”. This non-linearity does not typically appear with physically spreading infections, but instead can emerge when the concept that is spreading is subject to game theoretical considerations (e.g. for choices of strategy or behavior) or psychological effects such as social reinforcement and other forms of peer influence (e.g. for ideas, preferences, or opinions). Here we study how the stochastic dynamics of such complex contagions are affected by the underlying network structure. Motivated by simulations of complex contagions on real social networks, we present a framework for analyzing the statistics of contagions with arbitrary non-linear adoption probabilities based on the mathematical tools of population genetics. The central idea is to use an effective lower-dimensional diffusion process to approximate the statistics of the contagion. This leads to a tradeoff between the effects of ”selection” (microscopic tendencies for an idea to spread or die out), random drift, and network structure. Our framework illustrates intuitively several key properties of complex contagions: stronger community structure and network sparsity can significantly enhance the spread, while broad degree distributions dampen the effect of selection compared to random drift. Finally, we show that some structural features can exhibit critical values that demarcate regimes where global contagions become possible for networks of arbitrary size. Our results draw parallels between the competition of genes in a population and memes in a world of minds and ideas. Our tools provide insight into the spread of information, behaviors, and ideas via social influence, and highlight the role of macroscopic network structure in determining their fate.

59 BASIC BIOLOGICAL SCIENCES↗

Middle atmosphere modeling

Breaking gravity waves generate and maintain a background level of turbulence which is capable of producing substantial cooling and/or heating in the upper mesosphere and lower thermosphere. The net thermodynamic effect of breaking gravity waves is critically dependent on the eddy Prandt number (P sub t) applicable to mesospheric turbulence. When P sub t is approximately 1, the calculations of the heat budget for the mesopause region imply that the globally averaged eddy or turbulent diffusion coefficient cannot exceed .000001 sq cm/s. This upper limit on turbulant diffusion applies to both potential temperature transport and chemically inert tracer transport when radiative damping is neglible. For chemically active species larger diffusion coefficients are permitted, because the effective eddy diffusion coefficient is increased by an additive term L/2 gamma (sup 2), where L is the chemical loss rate and gamma is the vertical wavenumber. For P sub t is approximately 4 to 6, the turbulent diffusion of momentum (D sub M) is sufficiently greater than the turbulent diffusion of heat (D sub H) that the conversion of gravity wave energy to heat with high efficiency nearly balances the divergence of the downward eddy heat flux in the wave breaking zone. Therefore the heat budget of the mesopause region would no longer provide a powerful and useful constraint on D sub H. If P sub t exceeds 6 with high efficiency for energy conversion to heat, gravity waves would heat the mesosphere throughout the wave breaking region.

Strobel, D. F.↗

Tunable chemical complexity to control atomic diffusion in alloys

Abstract In this paper we report a new fundamental understanding of chemically-biased diffusion in Ni–Fe random alloys that is tuned/controlled by the intrinsic quantifiable chemical complexity. Development of radiation-tolerant alloys has been a long-standing challenge. Here we show how intrinsic chemical complexity can be utilized to guide the atomic diffusion and suppress radiation damage. The influence of chemical complexity is shown by the example of interstitial atom (IA) diffusion that is the most important defect in radiation effects. We use μs-scale molecular dynamics to reveal sluggish diffusion and percolation of IAs in concentrated Ni–Fe alloys. We develop a mean field diffusion model to take into account the effect of migrating defect energy properties on diffusion percolation, which is verified by a new kinetic Monte Carlo approach addressing detailed processes. We demonstrate that the local variations in the ground state energy of IA configurations in alloys, reflecting the chemical difference between alloying components, drives the percolation effects for atomic diffusion. Percolation, chemically-biased and sluggish diffusion are phenomena that are directly related to the chemical complexity intrinsically to multicomponent alloys.

36 MATERIALS SCIENCE↗

Compact Models for Defect Diffusivity in Semiconductor Alloys.

Predicting transient effects caused by short - pulse neutron irradiation of electronic devices is an important part of Sandia's mission. For example , predicting the diffusion of radiation - induced point defects is needed with in Sandia's Qualification Alternative to the Sandia Pulsed Reactor (QASPR) pro gram since defect diffusion mediates transient gain recovery in QASPR electronic devices. Recently, the semiconductors used to fabricate radiation - hard electronic devices have begun to shift from silicon to III - V compounds such as GaAs, InAs , GaP and InP . An advantage of this shift is that it allows engineers to optimize the radiation hardness of electronic devices by using alloy s such as InGaAs and InGaP . However, the computer codes currently being used to simulate transient radiation effects in QASP R devices will need to be modified since they presume that defect properties (charge states, energy levels, and diffusivities) in these alloys do not change with time. This is not realistic since the energy and properties of a defect depend on the types of atoms near it and , therefore, on its location in the alloy. In particular, radiation - induced defects are created at nearly random locations in an alloy and the distribution of their local environments - and thus their energies and properties - evolves with time as the defects diffuse through the alloy . To incorporate these consequential effects into computer codes used to simulate transient radiation effects, we have developed procedures to accurately compute the time dependence of defect energies and properties and then formulate them within compact models that can be employed in these computer codes. In this document, we demonstrate these procedures for the case of the highly mobile P interstitial (I P ) in an InGaP alloy. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority.

36 MATERIALS SCIENCE↗