Publications

A new scheme to simulate elastic collisions in particle simulation codes is presented. The new scheme aims at simulating the collisions in the highly collisional regime, in which particle simulation techniques typically become computationally expensive. The new scheme is based on the concept of a grid-based collision field. According to this scheme, the particles perform a single collision with the background grid during a time step. The properties of the background field are calculated from the moments of the distribution function accumulated on the grid. The collision operator is based on the Langevin equation. Based on comparisons with other methods, it is found that the Langevin method overestimates the collision frequency for dilute gases.

This report is a summary of the work completed in FY00 for science-based characterization of the processes used to fabricate cermet vias in source feedthrus. In particular, studies were completed to characterize the CND50 cermet slurry, characterize solvent imbibition, and identify critical via filling variables. These three areas of interest are important to several processes pertaining to the production of neutron generator tubes. Rheological characterization of CND50 slurry prepared with 94ND2 and Sandi94 primary powders were also compared. The 94ND2 powder was formerly produced at the GE Pinellas Plant and the Sandi94 is the new replacement powder produced at CeramTec. Processing variables that may effect the via-filling process were also studied and include: the effect of solids loading in the CND50 slurry; the effect of milling time; and the effect of Nuosperse (a slurry ''conditioner''). Imbibition characterization included a combination of experimental, theoretical, and computational strategies to determine solvent migration though complex shapes, specifically vias in the source feedthru component. Critical factors were determined using a controlled set of experiments designed to identify those variables that influence the occurrence of defects within the cermet filled via. These efforts were pursued to increase part production reliability, understand selected fundamental issues that impact the production of slurry-filled parts, and validate the ability of the computational fluid dynamics code, GOMA, to simulate these processes. Suggestions are made for improving the slurry filling of source feedthru vias.

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Experiments are presented in which electrical-impedance tomography (EIT) and gamma-densitometry tomography (GDT) measurements were combined to simultaneously measure the solid, liquid, and gas radial distributions in a vertical three-phase flow. The experimental testbed was a 19.05-cm diameter bubble column in which gas is injected at the bottom and exits out the top while the liquid and solid phases recirculate. The gas phase was air and the liquid phase was deionized water with added electrolytes. Four different particle classes were investigated for the solid phase: 40--100 {micro}m and 120--200 {micro}m glass beads (2.41 g/cm{sup 3}), and 170--260 {micro}m and 200--700 {micro}m polystyrene beads (1.04 g/cm{sup 3}). Superficial gas velocities of 3 to 30 cm/s and solid volume fractions up to 0.30 were examined. For all experimental conditions investigated, the gas distribution showed only a weak dependence on both particle size and density. Average gas volume fraction as a function of superficial gas velocity can be described to within {+-} 0.04 by curve passing through the center of the data. For most cases the solid particle appeared to be radically uniformly dispersed in the liquid.

An electrical-impedance tomography (EIT) system has been developed for quantitative measurements of radial phase distribution profiles in two-phase and three-phase vertical column flows. The EIT system is described along with the computer algorithm used for reconstructing phase volume fraction profiles. EIT measurements were validated by comparison with a gamma-densitometry tomography (GDT) system. The EIT system was used to accurately measure average solid volume fractions up to 0.05 in solid-liquid flows, and radial gas volume fraction profiles in gas-liquid flows with gas volume fractions up to 0.15. In both flows, average phase volume fractions and radial volume fraction profiles from GDT and EIT were in good agreement. A minor modification to the formula used to relate conductivity data to phase volume fractions was found to improve agreement between the methods. GDT and EIT were then applied together to simultaneously measure the solid, liquid, and gas radial distributions within several vertical three-phase flows. For average solid volume fractions up to 0.30, the gas distribution for each gas flow rate was approximately independent of the amount of solids in the column. Measurements made with this EIT system demonstrate that EIT may be used successfully for noninvasive, quantitative measurements of dispersed multiphase flows.

Gamma-densitometry tomography is applied to study the effect of sparger hole geometry, gas flow rate, column pressure, and phase properties on gas volume fraction profiles in bubble columns. Tests are conducted in a column 0.48 m in diameter, using air and mineral oil, superficial gas velocities ranging from 5 to 30 cm s{sup -1}, and absolute column pressures from 103 to 517 kPa. Reconstructed gas volume fraction profiles from two sparger geometries are presented. The development length of the gas volume fraction profile is found to increase with gas flow rate and column pressure. Increases in gas flow rate increase the local gas volume fraction preferentially on the column axis, whereas increases in column pressure produce a uniform rise in gas volume fraction across the column. A comparison of results from the two spargers indicates a significant change in development length with the number and size of sparger holes.

A collision model for the Direct Simulation Monte Carlo (DSMC) method is presented. The collision model is based on the BGK equation and makes use of the Cercignani ellipsoidal distribution to incorporate the effects of heat conductivity. Results obtained by the DSMC method and its BGK and BGKC modifications for a 10° wedge and a flat plate are presented and discussed. © 2000 by Sandia Corporation.

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A series of studies is presented in which an electrical-impedance tomography (EXT) system is validated for two-phase flow measurements. The EIT system, developed at Sandia National Laboratories, is described along with the computer algorithm used for reconstructing phase volume fraction profiles. The algorithm is first tested using numerical data and experimental phantom measurements, with good results. The EIT system is then applied to solid-liquid and gas-liquid flows, and results are compared to an established gamma-densitometry tomography (GDT) system. In the solid-liquid flows, the average solid volume fractions measured by EIT are in good agreement with nominal values; in the gas-liquid flows, average gas volume fractions and radial gas volume fraction profiles from GDT and EIT are also in good agreement.

An experimental investigation has confirmed the predicted flow pattern in a prototype virtual cyclone, a novel device for nonimpact particle separation proposed by Torcdzynski and Rader (1996, 1997) based solely on computational simulations. The virtual cyclone differs from an ordinary cyclone in that the flow is turned by a virtual wall composed of an eddy rather than by a solid wall. A small-scale version of the computationally simulated geometry has been fabricated out of Lucite. The working fluid is ambient air, which is drawn through the apparatus and flow-metering equipment using a wind-tunnel vacuum source. The flow is seeded with smoke or water droplets produced by a nebulizer so that flow visualization techniques and particle-imaging velocimetry could be applied. Experiments have been performed on this apparatus for flows with Reynolds numbers from 200 up to 40,000 (a Mach number of 0.3). Flow visualization using a laser light sheet passing through the mid-plane of the apparatus verified that the computationally predicted flow is obtained over the entire range of flow rates. The shear layer between the main and recirculating flow is observed to become turbulent around a Reynolds number of 4000. While not changing the flow structure, the turbulent mixing produced by shear-layer roll-up limits particle concentration at the higher flow rates. In order to achieve highly efficient particle separation using a virtual cyclone, turbulence must be suppressed or mitigated. If laminar flow cannot be achieved for macroscopic-scale virtual cyclones, it should be achievable for a small-scale (low Reynolds number) virtual cyclone fabricated using MEMS-related technologies. This approach could lead to a chip-scale particle concentrator.

A summary of recent advances in cryogenic-aerosol-based wafer-processing technology for semiconductor wafer cleaning is presented. An argon/nitrogen cryogenic-aerosol-based tool has been developed and optimized for removal of particulate contaminants. The development of the tool involved a combination of theoretical (modeling) and experimental efforts aimed at understanding the mechanisms of aerosol formation and the relation between aerosol characteristics and particle-removal ability. It is observed that the highest cleaning efficiencies are achieved, in general, when the cryogenic aerosol is generated by the explosive atomization of an initially liquid jet of the cryogenic mixture.

In support of the Motorola CRADA, the capabilities of the computational fluid dynamics code FIDAP (Fluid Dynamics International) for simulating problems involving fluid flow, heat transport, and chemical reactions have been assessed and enhanced as needed for semiconductor-processing applications (e.g. chemical vapor deposition). A novel method of treating surface chemical species that uses only pre-existing FIDAP commands is described and illustrated with test problems. A full-Jacobian treatment of the chemical reaction rate expressions during formation of the stiffness matrix has been implemented in FIDAP for both the Arrhenius-parameter and user-subroutine methods of specifying chemical reactions, where the Jacobian terms can be calculated analytically or numerically. This formulation is needed to obtain convergence when reaction rates become large compared to transport rates (stiff chemistry). Several test problems are analyzed, and in all cases this approach yields good convergence behavior, even for extremely stiff fluid-phase and surface reactions. A stiff segregated algorithm has been developed and implemented in FIDAP. Analysis of test problems indicates that this algorithm yields improved convergence behavior compared with the original segregated algorithm. This improved behavior enables segregated techniques to be applied to problems with stiff chemistry, as required for large three-dimensional multi-species problems.

It is often desirable to separate particles from a particle-laden fluid stream. This is typically accomplished by passing the stream through a filter, an impactor, or a cyclone. In each of these devices, particles encounter obstacles in the flow path (i.e. filter material, the impaction surface, the cyclone side wall). However, in some applications, it is desirable to prevent particles from impinging on solid surfaces. For example, particle interaction with a solid surface may contaminate the surface, modify the particles via mechanical or chemical processes, or adversely affect the surface via material modification or heat transfer. In such situations, it is still possible to separate particles from the particle-laden flow stream by transferring them to another adjacent flow stream. This transfer of particles from one flow stream to another is termed nonimpact particle separation. One type of device that separates particles from a flow stream by nonimpact particle separation is the anticyclone. In contradistinction to a cyclone, the particle-laden flow is deflected from its original direction by a wall that curves away from the original flow direction, rather than into it. The computational fluid dynamics code FIDAP (Fluid Dynamics International) is used to perform two-dimensional fluid-flow and particle-motion calculations for a representative device geometry. These calculations indicate that the anticyclone geometry examined accomplishes nonimpact particle separation, as expected. Flow patterns and overall particle-separation characteristics are found to be fairly insensitive to Reynolds number for values above 100 regardless of whether the flow is laminar or turbulent. An approximate analytical relation describing anticyclone nonimpact particle separation is developed and validated by comparison to the numerical simulations. The additional information required to design useful devices employing nonimpact particle separation is outlined.

The computational fluid dynamics code FIDAP (Fluid Dynamics International) is used to perform simulations of the steady laminar flow of an incompressible fluid in a three-dimensional rectangular cavity. Although most previous studies have considered a 'lid-driven' cavity, where a uniform horizontal velocity is imposed on the cavity lid, the flow in the channel above the cavity is explicitly included in the computational domain in these simulations. Simulations are performed for various Reynolds numbers in the range 0 ≤ Re ≤ 1000 and are compared to corresponding two-dimensional results. The three-dimensional flows are seen to exhibit a smooth topology change around Re ≈ 35.

Gas contained in a rectangular laser cell of large length and small width is subjected to large, transient, spatially nonuniform, volumetric heating when pumped. The heating time scale is much longer than the time required for an acoustic wave to traverse the width but can be comparable to the time required for an acoustic wave to traverse the length. Approximate equations describing the motion are derived by applying partial acoustic filtering to the equations of motion: pressure waves traversing the width are removed while pressure waves traversing the length are retained. For a simplified one-dimensional example, a significant density variation is found across the width of the laser cell; moreover, this density variation is in good agreement with a numerical solution of the unap-proximated gas dynamic equations although the latter requires two orders of magnitude more computational time. © 1991 by ASME.