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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, George

Here, 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. Finally, 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: 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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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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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: 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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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.

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. For the conditions simulated, diffusion can influence the initial instability growth significantly.

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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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Results 26–50 of 193
Results 26–50 of 193