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In this paper, we present high-performance computing for the BGK model of the Boltzmann equation with a mesh-free method. For the numerical simulation of the BGK equation we use an Arbitrary-Lagrangian-Eulerian (ALE) method developed in previous work, where the approximation of spatial derivatives and the reconstruction of a function is based on the weighted least squares method. A Graphics Processing Unit (GPU) is used to accelerate the code. The result is compared with sequential and parallel versions of the CPU code. Two and three-dimensional driven cavity problems are solved, where a speed-up of several orders of magnitude is obtained compared to a sequential CPU simulation., Comment: arXiv admin note: text overlap with arXiv:2109.05822

Based on the continuum model for granular media developed in Dunatunga et al. we propose a mesh-free generalized finite difference method for the simulation of granular flows. The model is given by an elasto-viscoplastic model with a yield criterion using the $\mu(I)$ rheology from Jop et al. The numerical procedure is based on a mesh-free particle method with a least squares approximation of the derivatives in the balance equations combined with the numerical algorithm developed in Dunatunga et al. to compute the plastic stresses. The method is numerically tested and verified for several numerical experiments including granular column collapse and rigid body motion in granular materials. For comparison a nonlinear microscopic model from Lacaze et al. is implemented and results are compared to the those obtained from the continuum model for granular column collapse and rigid body coupling to granular flow.

In this paper we present a novel technique for the simulation of moving boundaries and moving rigid bodies immersed in a rarefied gas using an Eulerian-Lagrangian formulation based on least square method. The rarefied gas is simulated by solving the Bhatnagar-Gross-Krook (BGK) model for the Boltzmann equation of rarefied gas dynamics. The BGK model is solved by an Arbitrary Lagrangian-Eulerian (ALE) method, where grid-points/particles are moved with the mean velocity of the gas. The computational domain for the rarefied gas changes with time due to the motion of the boundaries. To allow a simpler handling of the interface motion we have used a meshfree method based on a least-square approximation for the reconstruction procedures required for the scheme. We have considered a one way, as well as a two-way coupling of boundaries/rigid bodies and gas flow. The numerical results are compared with analytical as well as with Direct Simulation Monte Carlo (DSMC) solutions of the Boltzmann equation. Convergence studies are performed for one-dimensional and two-dimensional test-cases. Several further test problems and applications illustrate the versatility of the approach.

Modeling and simulation of disease spreading in pedestrian crowds has been recently become a topic of increasing relevance. In this paper, we consider the influence of the crowd motion in a complex dynamical environment on the course of infection of the pedestrians. To model the pedestrian dynamics we consider a kinetic equation for multi-group pedestrian flow based on a social force model coupled with an Eikonal equation. This model is coupled with a non-local SEIS contagion model for disease spread, where besides the description of local contacts also the influence of contact times has been modelled. Hydrodynamic approximations of the coupled system are derived. Finally, simulations of the hydrodynamic model are carried out using a mesh-free particle method. Different numerical test cases are investigated including uni- and bi-directional flow in a passage with and without obstacles.

In this paper we have applied a Semi-Lagrangian schemes with meshfree interpolation, based on a Moving Least Squares (MLS) method, to solve the BGK model for rarefied gas dynamics. Sod's shock tube problems are presented for a large range of mean free paths in one dimensional physical space and three dimensional velocity space. In order to validate the solutions obtained from the meshfree method, we have used the piecewise linear spline interpolation. Furthermore, we have compared the solutions of the BGK model with the solutions obtained from Direct Simulation Monte Carlo (DSMC) method. In the case of a very small mean free path the numerical solutions are compared with the exact solutions of the compressible Euler equations. Overall we found that the meshfree interpolation gives better approximation than the piecewise linear spline interpolation.

We analyze numerically some macroscopic models of pedestrian motion such as Hughes model [1] and mean field game with nonlinear mobilities [2] modeling fast exit scenarios in pedestrian crowds. A model introduced by Hughes consisting of a non-linear conservation law for the density of pedestrians coupled with an Eikonal equation for a potential modeling the common sense of the task. Mean field game with nonlinear mobilities is obtained by an optimal control approach, where the motion of every pedestrian is determined by minimizing a cost functional, which depends on the position, velocity, exit time and the overall density of people. We consider a parabolic optimal control problem of nonlinear mobility in pedestrian dynamics, which leads to a mean field game structure. We show how optimal control problem related to the Hughes model for pedestrian motion. Furthermore we provide several numerical results which relate both models in one and two dimensions. References [1] Hughes R.L.: A continuum theory for the flow of pedestrians, Transportation Research Part B: Methodological, 36, 507-535 (2000) [2] Burger M., Di Francesco M., Markowich P.A., Wolfram M-T.: Mean field games with nonlinear mobilities in pedestrian dynamics, Discrete and Continuous Dynamical Systems. Series B. A Journal Bridging Mathematics and Sciences, 19, 1311-1333 (2014)

The force and torque on a Janus sphere moving in a rarefied gas with a thermal gradient are calculated. The regime of large Knudsen number is considered, with the momenta of impinging gas molecules either obtained from a Chapman-Enskog distribution or from a binary Maxwellian distribution between two opposing parallel plates at different temperature. The reflection properties at the surface of the Janus particle are characterized by accommodation coefficients having constant but dissimilar values on each hemisphere. It is shown that the Janus particle preferentially orients such that the hemisphere with a larger accommodation coefficient points towards the lower temperature. The thermophoretic velocity of the particle is computed, and the influence of the thermophoretic motion on the magnitude of the torque responsible for the particle orientation is studied. The analytical calculations are supported by Direct Simulation Monte Carlo results, extending the scope of the study towards smaller Knudsen numbers. The results shed light on the efficiency of oriented deposition of nanoparticles from the gas phase onto a cold surface.

In this paper we present the comparison of experiments and numerical simulations for bubble cutting by a wire. The air bubble is surrounded by water. In the experimental setup an air bubble is injected on the bottom of a water column. When the bubble rises and contacts the wire, it is separated into two daughter bubbles. The flow is modeled by the incompressible Navier-Stokes equations. A meshfree method is used to simulate the bubble cutting. We have observed that the experimental and numerical results are in very good agreement. Moreover, we have further presented simulation results for liquid with higher viscosity. In this case the numerical results are close to previously published results., Comment: 20 pages, 12 figures. arXiv admin note: text overlap with arXiv:1406.4734

A multi-scale meshfree particle method for macroscopic mean field approximations of generalized interacting particle models is developed and investigated. The method is working in a uniform way for large and small interaction radii. The well resolved case for large interaction radius is treated, as well as underresolved situations with small values of the interaction radius. In the present work we extend the approach from [39] for porous media type limit equations to a more general case, including in particular hyperbolic limits. The method can be viewed as a numerical transition between a DEM-type method for microscopic interacting particle systems and a meshfree particle method for macroscopic equations. We discuss in detail the numerical performance of the scheme for various examples and the potential gain in computation time. The latter is shown to be particularly high for situations near the macroscopic limit. There are various applications of the method to problems involving mean field approximations in swarming, tra?c, pedestrian or granular fow simulation.

Meshfree solution schemes for the incompressible Navier--Stokes equations are usually based on algorithms commonly used in finite volume methods, such as projection methods, SIMPLE and PISO algorithms. However, drawbacks of these algorithms that are specific to meshfree methods have often been overlooked. In this paper, we study the drawbacks of conventionally used meshfree Generalized Finite Difference Method~(GFDM) schemes for Lagrangian incompressible Navier-Stokes equations, both operator splitting schemes and monolithic schemes. The major drawback of most of these schemes is inaccurate local approximations to the mass conservation condition. Further, we propose a new modification of a commonly used monolithic scheme that overcomes these problems and shows a better approximation for the velocity divergence condition. We then perform a numerical comparison which shows the new monolithic scheme to be more accurate than existing schemes.

We consider a multi-group microscopic model for pedestrian flow describing the behaviour of large groups. It is based on an interacting particle system coupled to an eikonal equation. Hydrodynamic multi-group models are derived from the underlying particle system as well as scalar multi-group models. The eikonal equation is used to compute optimal paths for the pedestrians. Particle methods are used to solve the equations on all levels of the hierarchy. Numerical test cases are investigated and the models and, in particular, the resulting evacuation times are compared for a wide range of different parameters.

In this paper we present a numerical scheme to simulate a moving rigid body with arbitrary shape suspended in a rarefied gas. The rarefied gas is simulated by solving the Boltzmann equation using a DSMC particle method. The motion of the rigid body is governed by the Newton-Euler equations, where the force and the torque on the rigid body is computed from the momentum transfer of the gas molecules colliding with the body. On the other hand, the motion of the rigid body influences the gas flow in its surroundings. We validate the numerical results by testing the Einstein relation for Brownian motion of the suspended particle. The translational as well as the rotational degrees of freedom are taken into account. It is shown that the numerically computed translational and rotational diffusion coefficients converge to the theoretical values., Comment: 16 pages, 8 figures

Simulations of wetting phenomena by a meshfree particle method are presented. The incompressible Navier-Stokes equations are used to model the two-phase flow. The continuous surface force model is used to incorporate the surface tension force. Chorin's projection method is applied to discretize the Navier-Stokes equations. The different fluid phases are identified by assigning different colors and different material properties (density, viscosity) to the particles that remain unchanged throughout a simulation. Two-phase flow is captured by a one-fluid model via using weighted averages of the density and viscosity in a region around the fluid-fluid interface. The differential operators at each particle are computed from the surrounding cloud of particles with the help of the least-squares method. The numerical results are compared with specific analytical solutions, but also with previously considered test cases involving wetting of a container and sessile drops. A good overall agreement is found., Comment: 34 pages, 41 figures

A meshfree Lagrangian method for the fluctuating hydrodynamic equations (FHEs) with fluid-structure interactions is presented. Brownian motion of the particle is investigated by direct numerical simulation of the fluctuating hydrodynamic equations. In this framework a bidirectional coupling has been introduced between the fluctuating fluid and the solid object. The force governing the motion of the solid object is solely due to the surrounding fluid particles. Since a meshfree formulation is used, the method can be extended to many real applications involving complex fluid flows. A three-dimensional implementation is presented. In particular, we observe the short and long-time behaviour of the velocity autocorrelation function (VACF) of Brownian particles and compare it with the analytical expression. Moreover, the Stokes-Einstein relation is reproduced to ensure the correct long-time behaviour of Brownian dynamics., Comment: 24 pages, 2 figures

The significance of thermally-driven flows for the propulsion of Leidenfrost solids on a ratchet surface is studied based on a numerical solution of the Boltzmann equation. In contrast to a previous analysis, it is found that no significant thermal creep flow is established. Instead, the flow pattern is dominated by thermal edge and thermal-stress slip flow, the latter being directed opposite to thermal creep flow. However, in total thermally-induced flows only make a minor contribution to the propulsion of Leidenfrost solids on ratchet surfaces which is dominated by the pressure-driven flow due to the sublimating solid.

In the current study a meshfree Lagrangian particle method for the Landau-Lifshitz Navier-Stokes (LLNS) equations is developed. The LLNS equations incorporate thermal fluctuation into macroscopic hydrodynamics by the addition of white noise fluxes whose magnitudes are set by a fluctuation-dissipation theorem. The study focuses on capturing the correct variance and correlations computed at equilibrium flows, which are compared with available theoretical values. Moreover, a numerical test for the random walk of standing shock wave has been considered for capturing the shock location., Comment: 17 pages, 2 figures

We study the dynamics of a liquid droplet inside a gas over a large range of the Knudsen numbers. The moving liquid droplet is modeled by the incompressible Navier-Stokes equations, the surrounding rarefied gas by the Boltzmann equation. The interface boundary conditions between the gas and liquid phases are derived. The incompressible Navier-Stokes equations are solved by a meshfree Lagrangian particle method called Finite Pointset Method (FPM), and the Boltzmann equation by a DSMC type of particle method. To validiate the coupled solutions of the Boltzmann and the incompressible Navier-Stokes equations we have further solved the compressible and the incompressible Navier-Stokes equations in the gas and liquid phases, respectively. In the latter case both the compressible and the incompressible Navier-Stokes equations are also solved by the FPM. In the continuum regime the coupled solutions obtained from the Boltzmann and the incompressible Navier-Stokes equations match with the solutions obtained from the compressible and the incompressible Navier-Stokes equations. In this paper, we presented solutions in one-dimensional physical space.

It is well known that in a gas-filled duct or channel along which a temperature gradient is applied, a thermal creep flow is created. Here we show that a mass and momentum flux can also be induced in a gas confined between two parallel structured surfaces at different temperatures, i.e. \textit{orthogonal} to the temperature gradient. We use both analytical and numerical methods to compute the resulting fluxes. The momentum flux assumes its maximum value in the free-molecular flow regime, the (normalized) mass flux in the transition flow regime. The discovered phenomena could find applications in novel methods for energy-conversion and thermal pumping of gases., Comment: 6 pages, 5 figures, updated fig.5, updated text for the numerical method

A small-scale, trapezoidal rigid body in the gas-filled gap between two parallel plates at different temperatures is considered. An analytical expression for the force onto the body in the direction parallel to the plates valid for an infinite Knudsen number is derived. Simultaneously, Monte-Carlo simulations are performed allowing to extend the analysis to Knudsen numbers of the order of one. The numerical and the analytical results show excellent agreement, indicating that a temperature gradient orthogonal to the plates can induce a significant force in parallel direction. This force is only slightly reduced when a Knudsen number of one is considered. In the future, the discovered effect may be exploited for the conversion of thermal into mechanical energy in nanomachines., Comment: 11 pages, figures included