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Navier-Stokes Equations Do Not Describe the Smallest Scales of Turbulence in Gases

Physical Review Letters

McMullen, Ryan M.; Krygier, Michael K.; Torczynski, J.R.; Gallis, Michail A.

In turbulent flows, kinetic energy is transferred from the largest scales to progressively smaller scales, until it is ultimately converted into heat. The Navier-Stokes equations are almost universally used to study this process. Here, by comparing with molecular-gas-dynamics simulations, we show that the Navier-Stokes equations do not describe turbulent gas flows in the dissipation range because they neglect thermal fluctuations. We investigate decaying turbulence produced by the Taylor-Green vortex and find that in the dissipation range the molecular-gas-dynamics spectra grow quadratically with wave number due to thermal fluctuations, in agreement with previous predictions, while the Navier-Stokes spectra decay exponentially. Furthermore, the transition to quadratic growth occurs at a length scale much larger than the gas molecular mean free path, namely in a regime that the Navier-Stokes equations are widely believed to describe. In fact, our results suggest that the Navier-Stokes equations are not guaranteed to describe the smallest scales of gas turbulence for any positive Knudsen number.

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Bubble Behavior in a Vertically Vibrating Enclosed, Liquid-Filled Cylinder

AIAA Journal

Obenauf, Dayna G.; Halls, Benjamin R.; Kunzler, W.M.; Farias, Paul A.; Torczynski, J.R.

When subjected to certain harmonic oscillations, the gas bubble in a partially liquid-filled, closed, vertical cylinder will break up. Under certain conditions, some of the gas will migrate to the bottom due to Bjerknes forces. At sufficiently large amplitudes, the bubble will break up into gas bubbles at the top and bottom ends of the cylinder. High-speed imaging captured the dynamics of bubble breakup and gas migration. Several parameters were investigated: oscillation frequency, oscillation acceleration, gas volume fraction, and liquid viscosity.

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Gas-kinetic simulations of compressible turbulence over a mean-free-path-scale porous wall

AIAA Science and Technology Forum and Exposition, AIAA SciTech Forum 2022

McMullen, Ryan M.; Krygier, Michael K.; Torczynski, J.R.; Gallis, Michail A.

We report flow statistics and visualizations from gas-kinetic simulations using the Direct Simulation Monte Carlo (DSMC) method of compressible turbulent Couette flow over a porous substrate composed of an array of circular cylinders for which the Knudsen number is O(10-1). Comparisons are made with both smooth-wall DSMC simulations and direct numerical simulations of the Navier-Stokes equations for the same conditions. Roughness, permeability, and noncontinuum effects are assessed.

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Evaluation of the Barracuda Software Package for Simulating Bubble Motion in Vibrating Liquid-Filled Containers

McMullen, Ryan M.; Torczynski, J.R.

The commercial software package Barracuda, developed by CPFD Software for simulating particle-laden fluid flows, is evaluated as a means to simulate the motion of bubbles in vibrating liquid-filled containers. Demonstration simulations of bubbles rising due to buoyancy forces in a cylinder filled with silicone oil and angled at 0, 30, 45, and 60 degrees from the vertical were performed by CPFD Software. The results of these simulations are discussed, and the capabilities of Barracuda for simulating bubble motion are assessed. It was determined that at present Barracuda does not meet the needs of the desired application. Further developments that would enable its use for this application are highlighted.

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Feasibility of the LAMMPS SPH Package for Simulating Bubble Motion in Vibrating Containers

McMullen, Ryan M.; Torczynski, J.R.

The Smoothed Particle Hydrodynamics (SPH) package within LAMMPS is explored as a possible tool for simulating the motion of bubbles in a vibrating liquid-filled container. As an initial test case, the unphysical but computationally less intense situation of a two-dimensional single bubble rising in a quiescent liquid under the influence of gravity is considered herein. Although physically plausible behavior was obtained under certain conditions, this behavior depends strongly on the system parameters. Moreover, the large density ratio between the liquid and bubble requires extremely small timesteps, which make the simulations undesirably computationally expensive. Ultimately, it was determined that this method is not feasible for providing quantitatively accurate results for the desired application.

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Effect of slip on vortex shedding from a circular cylinder in a gas flow

Physical Review Fluids

Gallis, Michail A.; Torczynski, J.R.

Most studies of vortex shedding from a circular cylinder in a gas flow have explicitly or implicitly assumed that the no-slip condition applies on the cylinder surface. To investigate the effect of slip, vortex shedding is simulated using molecular gas dynamics (the direct simulation Monte Carlo method) and computational fluid dynamics (the incompressible Navier-Stokes equations with a slip boundary condition). A Reynolds number of 100, a Mach number of 0.3, and a corresponding Knudsen number of 0.0048 are examined. For these conditions, compressibility effects are small, and periodic laminar vortex shedding is obtained. Slip on the cylinder is varied using combinations of diffuse and specular molecular reflections with accommodation coefficients from zero (maximum slip) to unity (minimum slip). Although unrealistic, bounce-back molecular reflections are also examined because they approximate the no-slip boundary condition (zero slip). The results from both methods are in reasonable agreement. The shedding frequency increases slightly as the accommodation coefficient is decreased, and shedding ceases at low accommodation coefficients (large slip). The streamwise and transverse forces decrease as the accommodation coefficient is decreased. Based on the good agreement between the two methods, computational fluid dynamics is used to determine the critical accommodation coefficient below which vortex shedding ceases for Reynolds numbers of 60-100 at a Mach number of 0.3. Conditions to observe the effect of slip on vortex shedding appear to be experimentally realizable, although challenging.

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Molecular-level simulation of compressible turbulence

AIAA Scitech 2020 Forum

Gallis, Michail A.; Bitter, Neal B.; Torczynski, J.R.

The Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics (MGD) has been used for more than 50 years to simulate rarefied gas flows. Modern supercomputers have brought higher-density near-continuum flows within range. In the present paper, DSMC is used to study compressible turbulence in the Taylor-Green (TG) vortex flow. The DSMC results are compared to available numerical results from Direct Numerical Simulation (DNS) of the (continuum) Navier-Stokes equations.

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Gas-Induced Motion of a Piston in a Vibrated Liquid-Filled Housing

Journal of Fluids Engineering, Transactions of the ASME

Torczynski, J.R.; O'Hern, Timothy J.; Clausen, Jonathan C.; Koehler, Timothy P.

Models and experiments are developed to investigate how a small amount of gas can cause large rectified motion of a piston in a vibrated liquid-filled housing when piston drag depends on piston position so that damping is nonlinear even for viscous flow. Two bellows serve as surrogates for the upper and lower gas regions maintained by Bjerknes forces. Without the bellows, piston motion is highly damped. With the bellows, the piston, the liquid, and the two bellows move together so that almost no liquid is forced through the gaps between the piston and the housing. This Couette mode has low damping and a strong resonance: the piston and the liquid vibrate against the spring formed by the two bellows (like the pneumatic spring formed by the gas regions). Near this resonance, the piston motion becomes large, and the nonlinear damping produces a large rectified force that pushes the piston downward against its spring suspension. A recently developed model based on quasi-steady Stokes flow is applied to this system. A drift model is developed from the full model and used to determine the equilibrium piston position as a function of vibration amplitude and frequency. Corresponding experiments are performed for two different systems. In the two-spring system, the piston is suspended against gravity between upper and lower springs. In the spring-stop system, the piston is pushed up against a stop by a lower spring. Model and experimental results agree closely for both systems and for different bellows properties.

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DSMC simulations of turbulent flows at moderate Reynolds numbers

AIP Conference Proceedings

Gallis, Michail A.; Torczynski, J.R.; Bitter, Neal B.; Koehler, Timothy P.; Moore, Stan G.; Plimpton, Steven J.; Papadakis, G.

The Direct Simulation Monte Carlo (DSMC) method has been used for more than 50 years to simulate rarefied gases. The advent of modern supercomputers has brought higher-density near-continuum flows within range. This in turn has revived the debate as to whether the Boltzmann equation, which assumes molecular chaos, can be used to simulate continuum flows when they become turbulent. In an effort to settle this debate, two canonical turbulent flows are examined, and the results are compared to available continuum theoretical and numerical results for the Navier-Stokes equations.

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Direct simulation Monte Carlo on petaflop supercomputers and beyond

Physics of Fluids

Plimpton, Steven J.; Moore, Stan G.; Borner, A.; Stagg, Alan K.; Koehler, T.P.; Torczynski, J.R.; Gallis, Michail A.

The gold-standard definition of the Direct Simulation Monte Carlo (DSMC) method is given in the 1994 book by Bird [Molecular Gas Dynamics and the Direct Simulation of Gas Flows (Clarendon Press, Oxford, UK, 1994)], which refined his pioneering earlier papers in which he first formulated the method. In the intervening 25 years, DSMC has become the method of choice for modeling rarefied gas dynamics in a variety of scenarios. The chief barrier to applying DSMC to more dense or even continuum flows is its computational expense compared to continuum computational fluid dynamics methods. The dramatic (nearly billion-fold) increase in speed of the largest supercomputers over the last 30 years has thus been a key enabling factor in using DSMC to model a richer variety of flows, due to the method's inherent parallelism. We have developed the open-source SPARTA DSMC code with the goal of running DSMC efficiently on the largest machines, both current and future. It is largely an implementation of Bird's 1994 formulation. Here, we describe algorithms used in SPARTA to enable DSMC to operate in parallel at the scale of many billions of particles or grid cells, or with billions of surface elements. We give a few examples of the kinds of fundamental physics questions and engineering applications that DSMC can address at these scales.

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Gas-kinetic simulation of sustained turbulence in minimal Couette flow

Physical Review Fluids

Gallis, Michail A.; Torczynski, J.R.; Bitter, Neal B.; Koehler, Timothy P.; Plimpton, Steven J.; Papadakis, G.

We provide a demonstration that gas-kinetic methods incorporating molecular chaos can simulate the sustained turbulence that occurs in wall-bounded turbulent shear flows. The direct simulation Monte Carlo method, a gas-kinetic molecular method that enforces molecular chaos for gas-molecule collisions, is used to simulate the minimal Couette flow at Re=500. The resulting law of the wall, the average wall shear stress, the average kinetic energy, and the continually regenerating coherent structures all agree closely with corresponding results from direct numerical simulation of the Navier-Stokes equations. These results indicate that molecular chaos for collisions in gas-kinetic methods does not prevent development of molecular-scale long-range correlations required to form hydrodynamic-scale turbulent coherent structures.

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Molecular-Level Simulations of Turbulence and Its Decay

Physical Review Letters

Gallis, Michail A.; Bitter, Neal B.; Koehler, Timothy P.; Torczynski, J.R.; Plimpton, Steven J.; Papadakis, G.

We provide the first demonstration that molecular-level methods based on gas kinetic theory and molecular chaos can simulate turbulence and its decay. The direct simulation Monte Carlo (DSMC) method, a molecular-level technique for simulating gas flows that resolves phenomena from molecular to hydrodynamic (continuum) length scales, is applied to simulate the Taylor-Green vortex flow. The DSMC simulations reproduce the Kolmogorov -5/3 law and agree well with the turbulent kinetic energy and energy dissipation rate obtained from direct numerical simulation of the Navier-Stokes equations using a spectral method. This agreement provides strong evidence that molecular-level methods for gases can be used to investigate turbulent flows quantitatively.

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Gas-induced motion of an object in a liquid-filled housing during vibration: II. Experiments

American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FEDSM

O'Hern, Timothy J.; Torczynski, J.R.; Clausen, Jonathan C.; Koehler, Timothy P.

We develop an idealized experimental system for studying how a small amount of gas can cause large net (rectified) motion of an object in a vibrated liquid-filled housing when the drag on the object depends strongly on its position. Its components include a cylindrical housing, a cylindrical piston fitting closely within this housing, a spring suspension that supports the piston, a post penetrating partway through a hole through the piston (which produces the position-dependent drag), and compressible bellows at both ends of the housing (which are well characterized surrogates for gas regions). In this system, liquid can flow from the bottom to the top of the piston and vice versa through the thin annular gaps between the hole and the post (the inner gap) and between the housing and the piston (the outer gap). When the bellows are absent, the piston motion is highly damped because small piston velocities produce large liquid velocities and large pressure drops in the Poiseuille flows within these narrow gaps. However, when the bellows are present, the piston, the liquid, and the bellows execute a collective motion called the Couette mode in which almost no liquid is forced through the gaps. Since its damping is low, the Couette mode has a strong resonance. Near this frequency, the piston motion becomes large, and the nonlinearity associated with the position-dependent drag of the inner gap produces a net (rectified) force on the piston that can cause it to move downward against its spring suspension. Experiments are performed using two variants of this system. In the single-spring setup, the piston is pushed up against a stop by its lower supporting spring. In the two-spring setup, the piston is suspended between upper and lower springs. The equilibrium piston position is measured as a function of the vibration frequency and acceleration, and these results are compared to corresponding analytical results (Torczynski et al., 2017). A quantitative understanding of the nonlinear behavior of this system may enable the development of novel tunable dampers for sensing vibrations of specified amplitudes and frequencies.

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Gas-induced motion of an object in a liquid-filled housing during vibration: I. Analysis

American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FEDSM

Torczynski, J.R.; O'Hern, Timothy J.; Clausen, Jonathan C.; Koehler, Timothy P.

Models and simulations are employed to analyze the motion of a spring-supported piston in a vibrated liquid-filled cylinder. The piston motion is damped by forcing liquid through a narrow gap between a hole through the piston and a post fixed to the housing. As the piston moves, the length of this gap changes, so the piston damping coefficient depends on the piston position. This produces a nonlinear damper, even for highly viscous flow. When gas is absent, the vibration response is overdamped. However, adding a little gas changes the response of this springmass-damper system to vibration. During vibration, Bjerknes forces cause some of the gas to migrate below the piston. The resulting pneumatic spring enables the liquid to move with the piston so as to force very little liquid through the gap. Thus, this "Couette mode" has low damping and a strong resonance near the frequency given by the pneumatic spring constant and the total mass of the piston and the liquid. Near this frequency, the amplitude of the piston motion is large, so the nonlinear damper produces a large net force on the piston. To analyze the effect of this nonlinear damper in detail, a surrogate system is developed by modifying the original system in two ways. First, the gas regions are replaced by upper and lower bellows with similar compressibility to give a well-defined "pneumatic" spring. Second, the upper stop against which the piston is pushed by its lower supporting spring is replaced with an upper spring, thereby removing the nonlinearity from the stop. An ordinary-differential-equation (ODE) drift model based on quasi-steady Stokes flow is used to produce a regime map of the vibration amplitudes and frequencies for which the piston is up or down for conditions of experimental interest. These results agree fairly well with Arbitrary Lagrangian Eulerian (ALE) simulations of the incompressible Navier-Stokes (NS) equations for the liquid and Newton's 2nd Law for the piston and bellows. A quantitative understanding of this nonlinear behavior may enable the development of novel tunable dampers for sensing vibrations of specified amplitudes and frequencies.

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Direct simulation monte carlo investigation of hydrodynamic instabilities in gases

AIP Conference Proceedings

Gallis, Michail A.; Koehler, Timothy P.; Torczynski, J.R.; Plimpton, Steven J.

The Rayleigh-Taylor instability (RTI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, two-dimensional and three-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode-perturbed interfaces between two atmospheric-pressure monatomic gases. The DSMC simulations reproduce all qualitative features of the RTI and are in reasonable quantitative agreement with existing theoretical and empirical models in the linear, nonlinear, and self-similar regimes. At late times, the instability is seen to exhibit a self-similar behavior, in agreement with experimental observations. For the conditions simulated diffusion can influence the initial instability growth significantly.

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Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

Physical Review Fluids

Gallis, Michail A.; Koehler, Timothy P.; Torczynski, J.R.; Plimpton, Steven J.

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters the self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.

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Gas-Enabled Resonance and Rectified Motion of a Piston in a Vibrated Housing Filled with a Viscous Liquid

Journal of Fluids Engineering, Transactions of the ASME

Romero, L.A.; Torczynski, J.R.; Clausen, Jonathan C.; O'Hern, Timothy J.; Benavides, Gilbert L.

We show how introducing a small amount of gas can completely change the motion of a solid object in a viscous liquid during vibration. We analyze an idealized system exhibiting this behavior: a piston in a liquid-filled housing with narrow gaps between piston and housing surfaces that depend on the piston position. Recent experiments have shown that vibration causes some gas to move below the piston and the piston to subsequently move downward against its supporting spring. We analyze the analogous but simpler situation in which the gas regions are replaced by bellows with similar pressure-volume relationships. We show that the spring formed by these bellows (analogous to the pneumatic spring formed by the gas regions) enables the piston and the liquid to oscillate in a mode with low damping and a strong resonance. We further show that, near this resonance, the dependence of the gap geometry on the piston position produces a large rectified (net) force on the piston. This force can be much larger than the piston weight and tends to move the piston in the direction that decreases the flow resistance of the gap geometry.

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Multiphase effects in dynamic systems under vibration

American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FEDSM

O'Hern, Timothy J.; Torczynski, J.R.; Clausen, Jonathan C.

Analysis, simulations, and experiments are performed for a piston in a vibrated liquid-filled cylinder, where the damping caused by forcing liquid through narrow gaps depends almost linearly on the piston position. Adding a little gas completely changes the dynamics of this spring-mass-damper system when it is subject to vibration. When no gas is present, the piston's vibrational response is highly overdamped due to the viscous liquid being forced through the narrow gaps. When a small amount of gas is added, Bjerknes forces cause some gas to migrate below the piston. The resulting pneumatic spring enables the liquid to move with the piston so that little liquid is forced through the gaps. This "Couette mode" thus has low damping and a strong resonance near the frequency given by the pneumatic spring constant and the piston mass. Near this frequency, the piston response is large, and the nonlinearity from the varying gap length produces a net force on the piston. This "rectified" force can be many times the piston's weight and can cause the piston to compress its supporting spring. A surrogate system in which the gas regions are replaced by upper and lower bellows with similar compressibility is studied. A recently developed theory for the piston and bellows motions is compared to finite element simulations. The liquid obeys the unsteady incompressible Navier-Stokes equations, and the piston and the bellows obey Newton's 2nd Law. Due to the large piston displacements near resonance, an Arbitrary Lagrangian Eulerian (ALE) technique with a sliding-mesh scheme is used to limit mesh distortion. Theory and simulation results for the piston motion are in good agreement. Experiments are performed with liquid only, with gas present, and with upper and lower bellows replacing the gas. Liquid viscosity, bellows compressibility, vibration amplitude, and gap geometry are varied to determine their effects on the frequency at which the rectified force makes the piston move down. This critical frequency is found to depend on whether the frequency is increased or decreased with time.

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Protection of extreme ultraviolet lithography masks. II. Showerhead flow mitigation of nanoscale particulate contamination

Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics

Klebanoff, Leonard E.; Torczynski, J.R.; Geller, Anthony S.; Gallis, Michael A.; Rader, Daniel J.; Chilese, Frank C.; Garcia, Rudy F.; Delgado, Gil

An analysis is presented of a method to protect the reticle (mask) in an extreme ultraviolet (EUV) mask inspection tool using a showerhead plenum to provide a continuous flow of clean gas over the surface of a reticle. The reticle is suspended in an inverted fashion (face down) within a stage/holder that moves back and forth over the showerhead plenum as the reticle is inspected. It is essential that no particles of 10-nm diameter or larger be deposited on the reticle during inspection. Particles can originate from multiple sources in the system, and mask protection from each source is explicitly analyzed. The showerhead plate has an internal plenum with a solid conical wall isolating the aperture. The upper and lower surfaces of the plate are thin flat sheets of porous-metal material. These porous sheets form the top and bottom showerheads that supply the region between the showerhead plate and the reticle and the region between the conical aperture and the Optics Zone box with continuous flows of clean gas. The model studies show that the top showerhead provides robust reticle protection from particles of 10-nm diameter or larger originating from the Reticle Zone and from plenum surfaces contaminated by exposure to the Reticle Zone. Protection is achieved with negligible effect on EUV transmission. The bottom showerhead efficiently protects the reticle from nanoscale particles originating from the Optics Zone. With similar mass flow rates from the two showerheads, this system provides efficient protection even when a significant overpressure exists between the Optics Zone and the Reticle Zone. Performance is insensitive to the fraction of incident particles that sticks to walls, the accommodation coefficient, the aperture geometry, and the gas pressure. The showerheads also protect the aperture (and therefore the Optics Zone) during mask loading and unloading. Commercially available porous-metal media have properties suitable for these showerheads at the required flow rates. The benefits of the approach compared to a conceptual EUV pellicle are described.

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Efficient DSMC collision-partner selection schemes

AIP Conference Proceedings

Gallis, Michail A.; Torczynski, J.R.

The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell. © 2011 American Institute of Physics.

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DSMC moving-boundary algorithms for simulating mems geometries with opening and closing gaps

AIP Conference Proceedings

Rader, Daniel J.; Gallis, Michail A.; Torczynski, J.R.

Moving-boundary algorithms for the Direct Simulation Monte Carlo (DSMC) method are investigated for a microbeam that moves toward and away from a parallel substrate. The simpler but analogous one-dimensional situation of a piston moving between two parallel walls is investigated using two moving-boundary algorithms. In the first, molecules are reflected rigorously from the moving piston by performing the reflections in the piston frame of reference. In the second, molecules are reflected approximately from the moving piston by moving the piston and subsequently moving all molecules and reflecting them from the moving piston at its new or old position. © 2011 American Institute of Physics.

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Improved-efficiency DSMC collision-partner selection schemes

Gallis, Michail A.; Torczynski, J.R.

The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.

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The terminal velocity of a bubble in an oscillating flow

Torczynski, J.R.; Kraynik, Andrew M.

A bubble in an acoustic field experiences a net 'Bjerknes' force from the nonlinear coupling of its radial oscillations with the oscillating buoyancy force. It is typically assumed that the bubble's net terminal velocity can be found by considering a spherical bubble with the imposed 'Bjerknes stresses'. We have analyzed the motion of such a bubble using a rigorous perturbation approach and found that one must include a term involving an effective mass flux through the bubble that arises from the time average of the second-order nonlinear terms in the kinematic boundary condition. The importance of this term is governed by the dimensionless parameter {alpha} = R{sup 2} {phi}/R{sup 2} {phi} {nu}.-{nu}, where R is the bubble radius, {phi} is the driving frequency, and {nu} is the liquid kinematic viscosity. If {alpha} is large, this term is unimportant, but if {alpha} is small, this term is the dominant factor in determining the terminal velocity.

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Measured and predicted temperature profiles along MEMS bridges at pressures from 0.05 to 625 torr

Phinney, Leslie M.; Serrano, Justin R.; Piekos, Edward S.; Torczynski, J.R.; Gallis, Michail A.; Gorby, Allen D.

We will present experimental and computational investigations of the thermal performance of microelectromechanical systems (MEMS) as a function of the surrounding gas pressure. Lowering the pressure in MEMS packages reduces gas damping, providing increased sensitivity for certain MEMS sensors; however, such packaging also dramatically affects their thermal performance since energy transfer to the environment is substantially reduced. High-spatial-resolution Raman thermometry was used to measure the temperature profiles on electrically heated, polycrystalline silicon bridges that are nominally 10 microns wide, 2.25 microns thick, 12 microns above the substrate, and either 200 or 400 microns long in nitrogen atmospheres with pressures ranging from 0.05 to 625 Torr. Finite element modeling of the thermal behavior of the MEMS bridges is performed and compared to the experimental results. Noncontinuum gas effects are incorporated into the continuum finite element model by imposing temperature discontinuities at gas-solid interfaces that are determined from noncontinuum simulations. The experimental and simulation results indicate that at pressures below 0.5 Torr the gas-phase heat transfer is negligible compared to heat conduction through the thermal actuator legs. As the pressure increases above 0.5 Torr, the gas-phase heat transfer becomes more significant. At ambient pressures, gas-phase heat transfer drastically impacts the thermal performance. The measured and simulated temperature profiles are in qualitative agreement in the present study. Quantitative agreement between experimental and simulated temperature profiles requires accurate knowledge of temperature-dependent thermophysical properties, the device geometry, and the thermal accommodation coefficient.

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Determination of thermal accommodation coefficients from heat transfer measurements between parallel plates

Trott, Wayne T.; Torczynski, J.R.; Gallis, Michail A.; Rader, Daniel J.; Castaneda, Jaime N.

Thermal accommodation coefficients have been derived for a variety of gas-surface combinations using an experimental apparatus developed to measure the pressure dependence of the conductive heat flux between parallel plates at unequal temperature separated by a gas-filled gap. The heat flux is inferred from temperature-difference measurements across the plates in a configuration where the plate temperatures are set with two carefully controlled thermal baths. Temperature-controlled shrouds provide for environmental isolation of the opposing test plates. Since the measured temperature differences in these experiments are very small (typically 0.3 C or less over the entire pressure range), high-precision thermistors are used to acquire the requisite temperature data. High-precision components have also been utilized on the other control and measurement subsystems in this apparatus, including system pressure, gas flow rate, plate alignment, and plate positions. The apparatus also includes the capability for in situ plasma cleaning of the installed test plates. Measured heat-flux results are used in a formula based on Direct Simulation Monte Carlo (DSMC) code calculations to determine the thermal accommodation coefficients. Thermal accommodation coefficients have been determined for three different gases (argon, nitrogen, helium) in contact with various surfaces. Materials include metals and alloys such as aluminum, gold, platinum, and 304 stainless steel. A number of materials important to fabrication of Micro Electro Mechanical Systems (MEMS) devices have also been examined. For most surfaces, coefficient values are near 0.95, 0.85, and 0.45 for argon, nitrogen, and helium, respectively. Only slight differences in accommodation as a function of surface roughness have been seen. Surface contamination appears to have a more significant effect: argon plasma treatment has been observed to reduce thermal accommodation by as much as 0.10 for helium. Mixtures of argon and helium have also been examined, and the results have been compared to DSMC simulations incorporating thermal-accommodation values from single-species experiments.

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Efficient DSMC collision-partner selection schemes

Gallis, Michail A.; Torczynski, J.R.

The effect of collision-partner selection schemes on the accuracy and the efficiency of the Direct Simulation Monte Carlo (DSMC) method of Bird is investigated. Several schemes to reduce the total discretization error as a function of the mean collision separation and the mean collision time are examined. These include the historically first sub-cell scheme, the more recent nearest-neighbor scheme, and various near-neighbor schemes, which are evaluated for their effect on the thermal conductivity for Fourier flow. Their convergence characteristics as a function of spatial and temporal discretization and the number of simulators per cell are compared to the convergence characteristics of the sophisticated and standard DSMC algorithms. Improved performance is obtained if the population from which possible collision partners are selected is an appropriate fraction of the population of the cell.

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Assessment of reaction-rate predictions of a collision-energy approach for chemical reactions in atmospheric flows

Gallis, Michail A.; Bond, Ryan B.; Torczynski, J.R.

A recently proposed approach for the Direct Simulation Monte Carlo (DSMC) method to calculate chemical-reaction rates is assessed for high-temperature atmospheric species. The new DSMC model reproduces measured equilibrium reaction rates without using any macroscopic reaction-rate information. Since it uses only molecular properties, the new model is inherently able to predict reaction rates for arbitrary non-equilibrium conditions. DSMC non-equilibrium reaction rates are compared to Park's phenomenological nonequilibrium reaction-rate model, the predominant model for hypersonic-flow-field calculations. For near-equilibrium conditions, Park's model is in good agreement with the DSMC-calculated reaction rates. For far-from-equilibrium conditions, corresponding to a typical shock layer, significant differences can be found. The DSMC predictions are also found to be in very good agreement with measured and calculated non-equilibrium reaction rates, offering strong evidence that this is a viable and reliable technique to predict chemical reaction rates.

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DSMC predictions of non-equilibrium reaction rates

Gallis, Michail A.; Bond, Ryan B.; Torczynski, J.R.

A set of Direct Simulation Monte Carlo (DSMC) chemical-reaction models recently proposed by Bird and based solely on the collision energy and the vibrational energy levels of the species involved is applied to calculate nonequilibrium chemical-reaction rates for atmospheric reactions in hypersonic flows. The DSMC non-equilibrium model predictions are in good agreement with theoretical models and experimental measurements. The observed agreement provides strong evidence that modeling chemical reactions using only the collision energy and the vibrational energy levels provides an accurate method for predicting non-equilibrium chemical-reaction rates.

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Raman thermometry measurements and thermal simulations for mems bridges at pressures from 0.05 to 625 TORR

Proceedings of the ASME Summer Heat Transfer Conference 2009, HT2009

Phinney, Leslie M.; Serrano, Justin R.; Piekos, Edward S.; Torczynski, J.R.; Gallis, Michail A.; Gorby, Allen D.

This paper reports on experimental and computational investigations into the thermal performance of microelectromechanical systems (MEMS) as a function of the pressure of the surrounding gas. High spatial resolution Raman thermometry was used to measure the temperature profiles on electrically heated, polycrystalline silicon bridges that are nominally 10 μm wide, 2.25 μm thick, and either 200 or 400 μm long in nitrogen atmospheres with pressures ranging from 0.05 to 625 Torr. Finite element modeling of the thermal behavior of the MEMS bridges is performed and compared to the experimental results. Noncontinuum gas effects are incorporated into the continuum finite element model by imposing temperature discontinuities at gas-solid interfaces that are determined from noncontinuum simulations. The results indicate that gas-phase heat transfer is significant for devices of this size at ambient pressures but becomes minimal as the pressure is reduced below 5 Torr. The model and experimental results are in qualitative agreement, and better quantitative agreement requires increased accuracy in the geometrical and material property values. Copyright © 2009 by ASME.

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Computational investigation of thermal gas separation for CO2 capture

Torczynski, J.R.; Gallis, Michail A.; Brooks, Carlton F.; Brady, Patrick V.; Bryan, Charles R.

This report summarizes the work completed under the Laboratory Directed Research and Development (LDRD) project 09-1351, 'Computational Investigation of Thermal Gas Separation for CO{sub 2} Capture'. Thermal gas separation for a binary mixture of carbon dioxide and nitrogen is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Molecular models for nitrogen and carbon dioxide are developed, implemented, compared to theoretical results, and compared to several experimental thermophysical properties. The molecular models include three translational modes, two fully excited rotational modes, and vibrational modes, whose degree of excitation depends on the temperature. Nitrogen has one vibrational mode, and carbon dioxide has four vibrational modes (two of which are degenerate). These models are used to perform a parameter study for mixtures of carbon dioxide and nitrogen confined between parallel walls over realistic ranges of gas temperatures and nominal concentrations of carbon dioxide. The degree of thermal separation predicted by DSMC is slightly higher than experimental values and is sensitive to the details of the molecular models.

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Molecule-based approach for computing chemical-reaction rates in upper atmosphere hypersonic flows

Gallis, Michail A.; Bond, Ryan B.; Torczynski, J.R.

This report summarizes the work completed during FY2009 for the LDRD project 09-1332 'Molecule-Based Approach for Computing Chemical-Reaction Rates in Upper-Atmosphere Hypersonic Flows'. The goal of this project was to apply a recently proposed approach for the Direct Simulation Monte Carlo (DSMC) method to calculate chemical-reaction rates for high-temperature atmospheric species. The new DSMC model reproduces measured equilibrium reaction rates without using any macroscopic reaction-rate information. Since it uses only molecular properties, the new model is inherently able to predict reaction rates for arbitrary nonequilibrium conditions. DSMC non-equilibrium reaction rates are compared to Park's phenomenological non-equilibrium reaction-rate model, the predominant model for hypersonic-flow-field calculations. For near-equilibrium conditions, Park's model is in good agreement with the DSMC-calculated reaction rates. For far-from-equilibrium conditions, corresponding to a typical shock layer, the difference between the two models can exceed 10 orders of magnitude. The DSMC predictions are also found to be in very good agreement with measured and calculated non-equilibrium reaction rates. Extensions of the model to reactions typically found in combustion flows and ionizing reactions are also found to be in very good agreement with available measurements, offering strong evidence that this is a viable and reliable technique to predict chemical reaction rates.

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Nanoparticle aerosols form Knudsen layers at walls

AIP Conference Proceedings

Torczynski, J.R.; Gallis, Michail A.; Rader, Daniel J.

An aerosol of nanoparticles forms a Knudsen layer when diffusing in a Brownian fashion toward a solid wall. More specifically, the particle number density in the gas by the wall approaches a nonzero value proportional to the flux. An approximate theory for the coefficient of proportionality as a function of the particle sticking probability at the wall and the drift velocity normal to the wall is compared to Langevin particle simulations. The results are used to formulate a boundary condition that enables accurate advection-diffusion simulations of nanoparticle-aerosol transport. © 2009 American Institute of Physics.

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Particle-contamination analysis for reticles in carrier inner pods

Proceedings of SPIE - The International Society for Optical Engineering

Torczynski, J.R.; Gallis, Michail A.; Rader, Daniel J.

Particle contamination is analyzed for a reticle in the inner pod of a carrier with particular emphasis on the effect of raising the cover of the inner pod before removing the reticle from the carrier at atmospheric pressure (not low pressure). Two mechanisms for particle transport into the gap between the base plate and the reticle are considered: injection and advection-diffusion. It is shown that injection is not an important mechanism but that advection-diffusion transport can carry particles deeply into the gap, where they can deposit on the reticle surface. Closed-form expressions are presented for the transmission probability that particles at the reticle edge are transported inward past the exclusion zone around the reticle perimeter. The gas flow in the gap that occurs during cover-raising is found by numerical simulation, and the closed-form expressions are applied to determine the probability of contamination for different cover-raising scenarios.

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Convergence behavior of a new DSMC algorithm

Proposed for publication in the Journal of Computational Physics.

Gallis, Michail A.; Torczynski, J.R.; Rader, Daniel J.

The convergence rate of a new direct simulation Monte Carlo (DSMC) method, termed 'sophisticated DSMC', is investigated for one-dimensional Fourier flow. An argon-like hard-sphere gas at 273.15K and 266.644Pa is confined between two parallel, fully accommodating walls 1mm apart that have unequal temperatures. The simulations are performed using a one-dimensional implementation of the sophisticated DSMC algorithm. In harmony with previous work, the primary convergence metric studied is the ratio of the DSMC-calculated thermal conductivity to its corresponding infinite-approximation Chapman-Enskog theoretical value. As discretization errors are reduced, the sophisticated DSMC algorithm is shown to approach the theoretical values to high precision. The convergence behavior of sophisticated DSMC is compared to that of original DSMC. The convergence of the new algorithm in a three-dimensional implementation is also characterized. Implementations using transient adaptive sub-cells and virtual sub-cells are compared. The new algorithm is shown to significantly reduce the computational resources required for a DSMC simulation to achieve a particular level of accuracy, thus improving the efficiency of the method by a factor of 2.

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Validation of thermal models for a prototypical MEMS thermal actuator

Torczynski, J.R.; Gallis, Michail A.; Piekos, Edward S.; Serrano, Justin R.; Phinney, Leslie M.; Gorby, Allen D.

This report documents technical work performed to complete the ASC Level 2 Milestone 2841: validation of thermal models for a prototypical MEMS thermal actuator. This effort requires completion of the following task: the comparison between calculated and measured temperature profiles of a heated stationary microbeam in air. Such heated microbeams are prototypical structures in virtually all electrically driven microscale thermal actuators. This task is divided into four major subtasks. (1) Perform validation experiments on prototypical heated stationary microbeams in which material properties such as thermal conductivity and electrical resistivity are measured if not known and temperature profiles along the beams are measured as a function of electrical power and gas pressure. (2) Develop a noncontinuum gas-phase heat-transfer model for typical MEMS situations including effects such as temperature discontinuities at gas-solid interfaces across which heat is flowing, and incorporate this model into the ASC FEM heat-conduction code Calore to enable it to simulate these effects with good accuracy. (3) Develop a noncontinuum solid-phase heat transfer model for typical MEMS situations including an effective thermal conductivity that depends on device geometry and grain size, and incorporate this model into the FEM heat-conduction code Calore to enable it to simulate these effects with good accuracy. (4) Perform combined gas-solid heat-transfer simulations using Calore with these models for the experimentally investigated devices, and compare simulation and experimental temperature profiles to assess model accuracy. These subtasks have been completed successfully, thereby completing the milestone task. Model and experimental temperature profiles are found to be in reasonable agreement for all cases examined. Modest systematic differences appear to be related to uncertainties in the geometric dimensions of the test structures and in the thermal conductivity of the polycrystalline silicon test structures, as well as uncontrolled nonuniform changes in this quantity over time and during operation.

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Experimentalvalidation of a squeeze-film damping model based on the direct simulation Monte Carlo method

2007 Proceedings of the ASME International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, DETC2007

Sumali, Hartono S.; Epp, David E.; Torczynski, J.R.; Gallis, Michail A.

A model for computing the force from a gas film squeezed between parallel plates was recently developed using Direct Simulation Monte Carlo simulations in conjunction with the classical Reynolds equation. This paper compares predictions from that model with experimental data. The experimental validation used an almost rectangular MEMS oscillating plate with piezoelectric base excitation. The velocities of the suspended plate and of the substrate were measured with a laser Doppler vibrometer and a microscope. Experimental modal analysis yielded the damping ratio of twelve test structures for several different gas pressures. Small perforation holes in the plates did not alter the squeeze-film damping substantially. These experimental data suggest that the model predicts squeeze-film damping forces accurately. From this comparison, it is seen that these structures have a tangential-velocity accommodation coefficient close to unity. Copyright © 2007 by ASME.

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Experimental measurements of thermal accommodation coefficients for microscale gas-phase heat transfer

Collection of Technical Papers - 39th AIAA Thermophysics Conference

Trott, Wayne T.; Rader, Daniel J.; Castaneda, Jaime N.; Torczynski, J.R.; Gallis, Michail A.

An experimental apparatus is described that measures gas-surface thermal accommodation coefficients from the pressure dependence of the conductive heat flux between parallel plates separated by a gas-filled gap. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation coefficients are determined from the pressure dependence of the heat flux at a fixed plate separation. The apparatus is designed to conduct tests with a variety of gases in contact with interchangeable, well-characterized surfaces of various materials (e.g., metals, ceramics, semiconductors) with various surface finishes (e.g., smooth, rough). Experiments are reported for three gases (argon, nitrogen, and helium) in contact with pairs of 304 stainless steel plates prepared with one of two finishes: lathe-machined or mirror-polished. For argon and nitrogen, the measured accommodation coefficients for machined and polished plates are near unity and independent of finish to within experimental uncertainty. For helium, the accommodation coefficients are much lower and show a slight variation with surface roughness. Two different methods are used to determine the accommodation coefficient from experimental data: the Sherman-Lees formula and the GTR formula. These approaches yield values of 0.87 and 0.94 for argon, 0.80 and 0.86 for nitrogen, 0.36 and 0.38 for helium with the machined finish, and 0.40 and 0.42 for helium with the polished finish, respectively, with an uncertainty of ±0.02. The GTR values for argon and nitrogen are generally in better agreement with the results of other investigators than the Sherman-Lees values are, and both helium results are in reasonable agreement with values in the literature.

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Circulating fluidized bed hydrodynamics experiments for the multiphase fluid dynamics research consortium (MFDRC)

Trujillo, Steven M.; Torczynski, J.R.; Tortora, Paul R.; O'Hern, Timothy J.

An experimental program was conducted to study the multiphase gas-solid flow in a pilot-scale circulating fluidized bed (CFB). This report describes the CFB experimental facility assembled for this program, the diagnostics developed and/or applied to make measurements in the riser section of the CFB, and the data acquired for several different flow conditions. Primary data acquired included pressures around the flow loop and solids loadings at selected locations in the riser. Tomographic techniques using gamma radiation and electrical capacitance were used to determine radial profiles of solids volume fraction in the riser, and axial profiles of the integrated solids volume fraction were produced. Computer Aided Radioactive Particle Tracking was used to measure solids velocities, fluxes, and residence time distributions. In addition, a series of computational fluid dynamics simulations was performed using the commercial code Arenaflow{trademark}.

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An experimental investigation of the effect of walls on gas-liquid flows through fixed particle

Proceedings of the American Society of Mechanical Engineers Fluids Engineering Division Summer Conference

Cooper, Marcia A.; Cote, Raymond O.; O'Hern, Timothy J.; Torczynski, J.R.; Evans, Lindsey R.; Cross, William M.

The effect of particle diameter on downward co-current gas-liquid flow through a fixed bed of particles confined within a cylindrical column is investigated. Several hydrodynamic regimes that depend strongly on the properties of the gas stream, the liquid stream, and the packed particle bed are known to exist within these systems. This experimental study focuses on characterizing the effect of wall confinement on these hydrodynamic regimes as the diameter d of the spherical particles becomes comparable to the column diameter D (or D/d becomes order-unity). The packed bed consists of polished, solid, spherical, monodisperse particles (beads) with mean diameter in the range of 0.64-2.54 cm. These diameters yield D/d values between 15 and 3.75, so this range overlaps and extends the previously investigated range for two-phase flow. Measurements of the pressure drop across the bed and across the pulses are obtained for varying gas and liquid flow rates. Copyright © 2005 by ASME.

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Noncontinuum gas-phase heat transfer from a heated microbeam to the adjacent substrate

American Society of Mechanical Engineers, Micro-Electro Mechanical Systems Division, (Publications) MEMS

Gallis, Michail A.; Torczynski, J.R.; Rader, Daniel J.; Bainbridge, Bruce L.

Noncontinuum gas-phase heat transfer in two microscale geometries is investigated using two computational methods. The motivation is microscale thermal actuation produced by heating-induced expansion of a near-substrate microbeam in air. The first geometry involves a 1-μm microgap filled with gas and bounded by parallel solid slabs. The second geometry involves a heated I-shaped microbeam 2 μm from the adjacent substrate, with gas in between. Two computational methods are applied. The Navier-Stokes slip-jump (NSSJ) method uses continuum heat transfer in the gas, with temperature jumps at boundaries to treat noncontinuum effects. The Direct Simulation Monte Carlo (DSMC) method uses computational molecules to simulate noncontinuum gas behavior accurately. For the microgap, the heat-flux values from both methods are in good agreement for all pressures and accommodation coefficients. For the microbeam, there is comparably good agreement except for cases with low pressures and near-unity accommodation coefficients. The causes of this discrepancy are discussed. Copyright © 2005 by ASME.

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Measurements of thermal accommodation coefficients

Rader, Daniel J.; Trott, Wayne T.; Torczynski, J.R.; Castaneda, Jaime N.; Grasser, Thomas W.

A previously-developed experimental facility has been used to determine gas-surface thermal accommodation coefficients from the pressure dependence of the heat flux between parallel plates of similar material but different surface finish. Heat flux between the plates is inferred from measurements of temperature drop between the plate surface and an adjacent temperature-controlled water bath. Thermal accommodation measurements were determined from the pressure dependence of the heat flux for a fixed plate separation. Measurements of argon and nitrogen in contact with standard machined (lathed) or polished 304 stainless steel plates are indistinguishable within experimental uncertainty. Thus, the accommodation coefficient of 304 stainless steel with nitrogen and argon is estimated to be 0.80 {+-} 0.02 and 0.87 {+-} 0.02, respectively, independent of the surface roughness within the range likely to be encountered in engineering practice. Measurements of the accommodation of helium showed a slight variation with 304 stainless steel surface roughness: 0.36 {+-} 0.02 for a standard machine finish and 0.40 {+-} 0.02 for a polished finish. Planned tests with carbon-nanotube-coated plates will be performed when 304 stainless-steel blanks have been successfully coated.

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Modeling microscale heat transfer using Calore

Torczynski, J.R.; Wong, Chungnin C.; Piekos, Edward S.; Gallis, Michail A.; Rader, Daniel J.; Bainbridge, Bruce L.

Modeling microscale heat transfer with the computational-heat-transfer code Calore is discussed. Microscale heat transfer problems differ from their macroscopic counterparts in that conductive heat transfer in both solid and gaseous materials may have important noncontinuum effects. In a solid material, three noncontinuum effects are considered: ballistic transport of phonons across a thin film, scattering of phonons from surface roughness at a gas-solid interface, and scattering of phonons from grain boundaries within the solid material. These processes are modeled for polycrystalline silicon, and the thermal-conductivity values predicted by these models are compared to experimental data. In a gaseous material, two noncontinuum effects are considered: ballistic transport of gas molecules across a thin gap and accommodation of gas molecules to solid conditions when reflecting from a solid surface. These processes are modeled for arbitrary gases by allowing the gas and solid temperatures across a gas-solid interface to differ: a finite heat transfer coefficient (contact conductance) is imposed at the gas-solid interface so that the temperature difference is proportional to the normal heat flux. In this approach, the behavior of gas in the bulk is not changed from behavior observed under macroscopic conditions. These models are implemented in Calore as user subroutines. The user subroutines reside within Sandia's Source Forge server, where they undergo version control and regression testing and are available to analysts needing these capabilities. A Calore simulation is presented that exercises these models for a heated microbeam separated from an ambient-temperature substrate by a thin gas-filled gap. Failure to use the noncontinuum heat transfer models for the solid and the gas causes the maximum temperature of the microbeam to be significantly underpredicted.

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The equivalent electrical permittivity of gas-solid mixtures at intermediate solid volume fractions

Torczynski, J.R.

Several mixture models are evaluated for their suitability in predicting the equivalent permittivity of dielectric particles in a dielectric medium for intermediate solid volume fractions (0.4 to 0.6). Predictions of the Maxwell, Rayleigh, Bottcher and Bruggeman models are compared to computational simulations of several arrangements of solid particles in a gas and to the experimentally determined permittivity of a static particle bed. The experiment uses spherical glass beads in air, so air and glass permittivity values (1 and 7, respectively) are used with all of the models and simulations. The experimental system used to measure the permittivity of the static particle bed and its calibration are described. The Rayleigh model is found to be suitable for predicting permittivity over the entire range of solid volume fractions (0-0.6).

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Microscale rarefied gas dynamics and surface interactions for EUVL and MEMS applications

Rader, Daniel J.; Trott, Wayne T.; Torczynski, J.R.; Gallis, Michail A.; Castaneda, Jaime N.; Grasser, Thomas W.

A combined experimental/modeling study was conducted to better understand the critical role of gas-surface interactions in rarefied gas flows. An experimental chamber and supporting diagnostics were designed and assembled to allow simultaneous measurements of gas heat flux and inter-plate gas density profiles in an axisymmetric, parallel-plate geometry. Measurements of gas density profiles and heat flux are made under identical conditions, eliminating an important limitation of earlier studies. The use of in situ, electron-beam fluorescence is demonstrated as a means to measure gas density profiles although additional work is required to improve the accuracy of this technique. Heat flux is inferred from temperature-drop measurements using precision thermistors. The system can be operated with a variety of gases (monatomic, diatomic, polyatomic, mixtures) and carefully controlled, well-characterized surfaces of different types (metals, ceramics) and conditions (smooth, rough). The measurements reported here are for 304 stainless steel plates with a standard machined surface coupled with argon, helium, and nitrogen. The resulting heat-flux and gas-density-profile data are analyzed using analytic and computational models to show that a simple Maxwell gas-surface interaction model is adequate to represent all of the observations. Based on this analysis, thermal accommodation coefficients for 304 stainless steel coupled with argon, nitrogen, and helium are determined to be 0.88, 0.80, and 0.38, respectively, with an estimated uncertainty of {+-}0.02.

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An improved Reynolds-equation model for gas damping of microbeam motion

Journal of Microelectromechanical Systems

Gallis, Michail A.; Torczynski, J.R.

An improved gas-damping model for the out-of-plane motion of a near-substrate microbeam is developed based on the Reynolds equation (RE). A boundary condition for the RE is developed that relates the pressure at the beam edge to the beam motion. The coefficients in this boundary condition are determined from Navier-Stokes slip-jump (NSSJ) simulations for small slip lengths (relative to the gap height) and from direct simulation Monte Carlo (DSMC) molecular gas dynamics simulations for larger slip lengths. This boundary condition significantly improves the accuracy of the RE when the microbeam width is only slightly greater than the gap height between the microbeam and the substrate. The improved RE model is applied to microbeams fabricated using the SUMMiT V process. © 2004 IEEE.

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Investigation of oil injection into brine for the Strategic Petroleum Reserve : hydrodynamics and mixing experiments with SPR liquids

O'Hern, Timothy J.; Torczynski, J.R.; Cote, Raymond O.; Castaneda, Jaime N.

An experimental program was conducted to study a proposed approach for oil reintroduction in the Strategic Petroleum Reserve (SPR). The goal was to assess whether useful oil is rendered unusable through formation of a stable oil-brine emulsion during reintroduction of degassed oil into the brine layer in storage caverns. An earlier report (O'Hern et al., 2003) documented the first stage of the program, in which simulant liquids were used to characterize the buoyant plume that is produced when a jet of crude oil is injected downward into brine. This report documents the final two test series. In the first, the plume hydrodynamics experiments were completed using SPR oil, brine, and sludge. In the second, oil reinjection into brine was run for approximately 6 hours, and sampling of oil, sludge, and brine was performed over the next 3 months so that the long-term effects of oil-sludge mixing could be assessed. For both series, the experiment consisted of a large transparent vessel that is a scale model of the proposed oil-injection process at the SPR. For the plume hydrodynamics experiments, an oil layer was floated on top of a brine layer in the first test series and on top of a sludge layer residing above the brine in the second test series. The oil was injected downward through a tube into the brine at a prescribed depth below the oil-brine or sludge-brine interface. Flow rates were determined by scaling to match the ratio of buoyancy to momentum between the experiment and the SPR. Initially, the momentum of the flow produces a downward jet of oil below the tube end. Subsequently, the oil breaks up into droplets due to shear forces, buoyancy dominates the flow, and a plume of oil droplets rises to the interface. The interface was deflected upward by the impinging oil-brine plume. Videos of this flow were recorded for scaled flow rates that bracket the equivalent pumping rates in an SPR cavern during injection of degassed oil. Image-processing analyses were performed to quantify the penetration depth and width of the oil jet. The measured penetration depths were shallow, as predicted by penetration-depth models, in agreement with the assumption that the flow is buoyancy-dominated, rather than momentum-dominated. The turbulent penetration depth model overpredicted the measured values. Both the oil-brine and oil-sludge-brine systems produced plumes with hydrodynamic characteristics similar to the simulant liquids previously examined, except that the penetration depth was 5-10% longer for the crude oil. An unexpected observation was that centimeter-size oil 'bubbles' (thin oil shells completely filled with brine) were produced in large quantities during oil injection. The mixing experiments also used layers of oil, sludge, and brine from the SPR. Oil was injected at a scaled flow rate corresponding to the nominal SPR oil injection rates. Injection was performed for about 6 hours and was stopped when it was evident that brine was being ingested by the oil withdrawal pump. Sampling probes located throughout the oil, sludge, and brine layers were used to withdraw samples before, during, and after the run. The data show that strong mixing caused the water content in the oil layer to increase sharply during oil injection but that the water content in the oil dropped back to less than 0.5% within 16 hours after injection was terminated. On the other hand, the sediment content in the oil indicated that the sludge and oil appeared to be well mixed. The sediment settled slowly but the oil had not returned to the baseline, as-received, sediment values after approximately 2200 hours (3 months). Ash content analysis indicated that the sediment measured during oil analysis was primarily organic.

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Molecular gas dynamics observations of Chapman-enskog behavior and departures therefrom in nonequilibrium gases

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Gallis, Michail A.; Torczynski, J.R.; Rader, Daniel J.

The molecular velocity distribution of a gas with heat flow was analyzed using Bird's direct simulation Monte Carlo (DSMC) method. Large numbers of computational molecules represented the gas in DSMC. Chapman-Enskog behavior was obtained for inverse-power-law molecules at continuum nonequilibrium conditions. It was shown that the Sonine-polynomial coefficients differ systematically from their continuum values as the local Knudsen number is increased, at noncontinuum nonequilibrium conditions.

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Radiation-transport method to simulate noncontinuum gas flows for MEMS devices

Torczynski, J.R.; Torczynski, J.R.; Gallis, Michail A.

A Micro Electro Mechanical System (MEMS) typically consists of micron-scale parts that move through a gas at atmospheric or reduced pressure. In this situation, the gas-molecule mean free path is comparable to the geometric features of the microsystem, so the gas flow is noncontinuum. When mean-free-path effects cannot be neglected, the Boltzmann equation must be used to describe the gas flow. Solution of the Boltzmann equation is difficult even for the simplest case because of its sevenfold dimensionality (one temporal dimension, three spatial dimensions, and three velocity dimensions) and because of the integral nature of the collision term. The Direct Simulation Monte Carlo (DSMC) method is the method of choice to simulate high-speed noncontinuum flows. However, since DSMC uses computational molecules to represent the gas, the inherent statistical noise must be minimized by sampling large numbers of molecules. Since typical microsystem velocities are low (< 1 m/s) compared to molecular velocities ({approx}400 m/s), the number of molecular samples required to achieve 1% precision can exceed 1010 per cell. The Discrete Velocity Gas (DVG) method, an approach motivated by radiation transport, provides another way to simulate noncontinuum gas flows. Unlike DSMC, the DVG method restricts molecular velocities to have only certain discrete values. The transport of the number density of a velocity state is governed by a discrete Boltzmann equation that has one temporal dimension and three spatial dimensions and a polynomial collision term. Specification and implementation of DVG models are discussed, and DVG models are applied to Couette flow and to Fourier flow. While the DVG results for these benchmark problems are qualitatively correct, the errors in the shear stress and the heat flux can be order-unity even for DVG models with 88 velocity states. It is concluded that the DVG method, as described herein, is not sufficiently accurate to simulate the low-speed gas flows that occur in microsystems.

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Investigation of oil injection into brine for the strategic petroleum reserve : hydrodynamics experiments with simulant liquids

Torczynski, J.R.; Torczynski, J.R.; O'Hern, Timothy J.; Barney, Jeremy B.; Castaneda, Jaime N.; Cote, Raymond O.

An experimental program is being conducted to study a proposed approach for oil reintroduction in the Strategic Petroleum Reserve (SPR). The goal is to assess whether useful oil is rendered unusable through formation of a stable oil-brine emulsion during reintroduction of degassed oil into the brine layer in storage caverns. This report documents the first stage of the program, in which simulant liquids are used to characterize the buoyant plume that is produced when a jet of crude oil is injected downward from a tube into brine. The experiment consists of a large transparent vessel that is a scale model of the proposed oil injection process at the SPR. An oil layer is floated on top of a brine layer. Silicon oil (Dow Corning 200{reg_sign} Fluid, 5 cSt) is used as the simulant for crude oil to allow visualization of the flow and to avoid flammability and related concerns. Sodium nitrate solution is used as the simulant for brine because it is not corrosive and it can match the density ratio between brine and crude oil. The oil is injected downward through a tube into the brine at a prescribed depth below the oil-brine interface. Flow rates are determined by scaling to match the ratio of buoyancy to momentum between the experiment and the SPR. Initially, the momentum of the flow produces a downward jet of oil below the tube end. Subsequently, the oil breaks up into droplets due to shear forces, buoyancy dominates the flow, and a plume of oil droplets rises to the interface. The interface is deflected upward by the impinging oil-brine plume. Two different diameter injection tubes were used (1/2-inch and 1-inch OD) to vary the scaling. Use of the 1-inch injection tube also assured that turbulent pipe flow was achieved, which was questionable for lower flow rates in the 1/2-inch tube. In addition, a 1/2-inch J-tube was used to direct the buoyant jet upwards rather than downwards to determine whether flow redirection could substantially reduce the oil-plume size and the oil-droplet residence time in the brine. Reductions of these quantities would inhibit emulsion formation by limiting the contact between the oil and the brine. Videos of this flow were recorded for scaled flow rates that bracket the equivalent pumping rates in an SPR cavern. Image-processing analyses were performed to quantify the penetration depth of the oil jet, the width of the jet, and the deflection of the interface. The measured penetration depths are shallow, as predicted by penetration-depth models, in agreement with the assumption that the flow is buoyancy-dominated, rather than momentum-dominated. The turbulent penetration depth model provided a good estimate of the measured values for the 1-inch injection tube but overpredicted the penetration depth for the 1/2-inch injection tube. Adding a virtual origin term would improve the prediction for the 1/2-inch tube for low to nominal injection flow rates but could not capture the rollover seen at high injection flow rates. As expected, the J-tube yielded a much narrower plume because the flow was directed upward, unlike the downward-oriented straight-tube cases where the plume had to reverse direction, leading to a much wider effective plume area. Larger surface deflections were caused by the narrower plume emitted from the J-tube. Although velocity was not measured in these experiments, the video data showed that the J-tube plume was clearly faster than those emitted from the downward-oriented tubes. These results indicate that oil injection tube modifications could inhibit emulsion formation by reducing the amount of contact (both time and area) between the oil and the brine. Future studies will employ crude oil, saturated brine, and interfacial solids (sludge) from actual SPR caverns.

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A generalized approximation for the thermophoretic force on a free-molecular particle

Proposed for publication in Aerosol Science and Technology.

Gallis, Michail A.; Gallis, Michail A.; Rader, Daniel J.; Torczynski, J.R.

A general, approximate expression is described that can be used to predict the thermophoretic force on a free-molecular, motionless, spherical particle suspended in a quiescent gas with a temperature gradient. The thermophoretic force is equal to the product of an order-unity coefficient, the gas-phase translational heat flux, the particle cross-sectional area, and the inverse of the mean molecular speed. Numerical simulations are used to test the accuracy of this expression for monatomic gases, polyatomic gases, and mixtures thereof. Both continuum and noncontinuum conditions are examined; in particular, the effects of low pressure, wall proximity, and high heat flux are investigated. The direct simulation Monte Carlo (DSMC) method is used to calculate the local molecular velocity distribution, and the force-Green's-function method is used to calculate the thermophoretic force. The approximate expression is found to predict the calculated thermophoretic force to within 10% for all cases examined.

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Electrical-Impedance Tomography for Opaque Multiphase Flows in Metallic (Electrically-Conducting) Vessels

Liter, Scott L.; Torczynski, J.R.

A novel electrical-impedance tomography (EIT) diagnostic system, including hardware and software, has been developed and used to quantitatively measure material distributions in multiphase flows within electrically-conducting (i.e., industrially relevant or metal) vessels. The EIT system consists of energizing and measuring electronics and seven ring electrodes, which are equally spaced on a thin nonconducting rod that is inserted into the vessel. The vessel wall is grounded and serves as the ground electrode. Voltage-distribution measurements are used to numerically reconstruct the time-averaged impedance distribution within the vessel, from which the material distributions are inferred. Initial proof-of-concept and calibration was completed using a stationary solid-liquid mixture in a steel bench-top standpipe. The EIT system was then deployed in Sandia's pilot-scale slurry bubble-column reactor (SBCR) to measure material distributions of gas-liquid two-phase flows over a range of column pressures and superficial gas flow rates. These two-phase quantitative measurements were validated against an established gamma-densitometry tomography (GDT) diagnostic system, demonstrating agreement to within 0.05 volume fraction for most cases, with a maximum difference of 0.15 volume fraction. Next, the EIT system was combined with the GDT system to measure material distributions of gas-liquid-solid three-phase flows in Sandia's SBCR for two different solids loadings. Accuracy for the three-phase flow measurements is estimated to be within 0.15 volume fraction. The stability of the energizing electronics, the effect of the rod on the surrounding flow field, and the unsteadiness of the liquid temperature all degrade measurement accuracy and need to be explored further. This work demonstrates that EIT may be used to perform quantitative measurements of material distributions in multiphase flows in metal vessels.

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Using DSMC to compute the force on a particle in a rarefied gas flow

Torczynski, J.R.; Gallis, Michail A.; Rader, Daniel J.

An approach is presented to compute the force on a spherical particle in a rarefied flow of a monatomic gas. This approach relies on the development of a Green's function that describes the force on a spherical particle in a delta-function molecular velocity distribution function. The gas-surface interaction model in this development allows incomplete accommodation of energy and tangential momentum. The force from an arbitrary molecular velocity distribution is calculated by computing the moment of the force Green's function in the same way that other macroscopic variables are determined. Since the molecular velocity distribution function is directly determined in the DSMC method, the force Green's function approach can be implemented straightforwardly in DSMC codes. A similar approach yields the heat transfer to a spherical particle in a rarefied gas flow. The force Green's function is demonstrated by application to two problems. First, the drag force on a spherical particle at arbitrary temperature and moving at arbitrary velocity through an equilibrium motionless gas is found analytically and numerically. Second, the thermophoretic force on a motionless particle in a motionless gas with a heat flux is found analytically and numerically. Good agreement is observed in both situations.

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Filling Source Feedthrus with Alumina/Molybdenum CND50 Cermet: Experimental, Theoretical, and Computational Approaches

Stuecker, John N.; Cesarano, Joseph C.; Shollenberger, K.A.; Roach, R.A.; Torczynski, J.R.; Thomas, Edward V.; Van Ornum, David J.

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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Sparger effects on gas volume fraction distributions in vertical bubble-column flows as measured by gamma-densitometry tomography

American Society of Mechanical Engineers, Fluids Engineering Division (Publication) FED

George, D.L.; Shollenberger, K.A.; Torczynski, J.R.

Gamma-densitometry tomography is applied to study the effects 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-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.

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A Collective Collision Operator for DSMC

Gallis, Michail A.; Torczynski, J.R.

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.

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Three-phase material distribution measurements in a vertical flow using gamma-densitometry tomography and electrical-impedance tomography

International Journal of Multiphase Flow

Shollenberger, K.A.; Torczynski, J.R.; O'Hern, Timothy J.; Shollenberger, K.A.

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.

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Quantitative tomographic measurements of opaque multiphase flows

Torczynski, J.R.; Shollenberger, K.A.; O'Hern, Timothy J.

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.

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174 Results
174 Results