A New Heterogeneous Multiscale Technique for Microscale Gas Flows

This paper was presented at the 4th Micro and Nano Flows Conference (MNF2014), which was held at University College, London, UK. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute, ASME Press, LCN London Centre for Nanotechnology, UCL University College London, UCL Engineering, the International NanoScience Community, www.nanopaprika.eu.We present a new hybrid method for dilute gas flows that heterogeneously couples a continuumfluid description to the direct simulation Monte Carlo (DSMC) method. A continuum-fluid model is applied across the entire domain, while DSMC is applied in spatially-distributed micro regions. Using a field-wise coupling approach, DSMC sub-domains of any size can be placed at any location. The sub-domain arrangement can therefore be adjusted for each problem to capture non-equilibrium behaviour both close to bounding walls and in the bulk. We demonstrate our method on a test case of high-speed micro Couette flow. With large differences in wall velocity, significant viscous heating is present, and so our coupling considers the transfer of both momentum and heat. Our hybrid results are validated against a pure DSMC simulation, and the results show that the method can deal with missing boundary and constitutive information

Solving the Boltzmann Equation on GPU

We show how to accelerate the direct solution of the Boltzmann equation using Graphics Processing Units (GPUs). In order to fully exploit the computational power of the GPU, we choose a method of solution which combines a finite difference discretization of the free-streaming term with a Monte Carlo evaluation of the collision integral. The efficiency of the code is demonstrated by solving the two-dimensional driven cavity flow. Computational results show that it is possible to cut down the computing time of the sequential code of two order of magnitudes. This makes the proposed method of solution a viable alternative to particle simulations for studying unsteady low Mach number flows.Comment: 18 pages, 3 pseudo-codes, 6 figures, 1 tabl

The structure of shock waves as a test of Brenner's modifications to the Navier-Stokes equations

Brenner has recently proposed modifications to the Navier-Stokes equations that are based on theoretical arguments but supported only by experiments having a fairly limited range. These modifications relate to a diffusion of fluid volume that would be significant for flows with high density gradients. So the viscous structure of shock waves in gases should provide an excellent test case for this new model. In this paper we detail the shock structure problem and propose exponents for the gas viscosity-temperature relation based on empirical viscosity data that is independent of shock experiments. We then simulate shocks in the range Mach 1.0-12.0 using the Navier-Stokes equations, both with and without Brenner's modifications. Initial simulations showed Brenner's modifications display unphysical behaviour when the coefficient of volume diffusion exceeds the kinematic viscosity. Our subsequent analyses attribute this behaviour to both an instability to temporal disturbances and a spurious phase velocity-frequency relationship. On equating the volume diffusivity to the kinematic viscosity, however, we find the results with Brenner's modifications are significantly better than those of the standard Navier-Stokes equations, and broadly similar to those from the family of extended hydrodynamic models that includes the Burnett equations. Brenner's modifications add only two terms to the Navier-Stokes equations, and the numerical implementation is much simpler than conventional extended hydrodynamic models, particularly in respect of boundary conditions. We recommend further investigation and testing on a number of different benchmark non-equilibrium flow cases

A Parallel Solution Adaptive Implementation of the Direct Simulation Monte Carlo Method

This thesis deals with the direct simulation Monte Carlo (DSMC) method of analysing gas flows. The DSMC method was initially proposed as a method for predicting rarefied flows where the Navier-Stokes equations are inaccurate. It has now been extended to near continuum flows. The method models gas flows using simulation molecules which represent a large number of real molecules in a probabilistic simulation to solve the Boltzmann equation. Molecules are moved through a simulation of physical space in a realistic manner that is directly coupled to physical time such that unsteady flow characteristics are modelled. Intermolecular collisions and moleculesurface collisions are calculated using probabilistic, phenomenological models. The fundamental assumption of the DSMC method is that the molecular movement and collision phases can be decoupled over time periods that are smaller than the mean collision time. Two obstacles to the wide spread use of the DSMC method as an engineering tool are in the areas of simulation configuration, which is the configuration of the simulation parameters to provide a valid solution, and the time required to obtain a solution. For complex problems, the simulation will need to be run multiple times, with the simulation configuration being modified between runs to provide an accurate solution for the previous run's results, until the solution converges. This task is time consuming and requires the user to have a good understanding of the DSMC method. Furthermore, the computational resources required by a DSMC simulation increase rapidly as the simulation approaches the continuum regime. Similarly, the computational requirements of three-dimensional problems are generally two orders of magnitude more than two-dimensional problems. These large computational requirements significantly limit the range of problems that can be practically solved on an engineering workstation or desktop computer. The first major contribution of this thesis is in the development of a DSMC implementation that automatically adapts the simulation. Rather than modifying the simulation configuration between solution runs, this thesis presents the formulation of algorithms that allow the simulation configuration to be automatically adapted during a single run. These adaption algorithms adjust the three main parameters that effect the accuracy of a DSMC simulation, namely the solution grid, the time step and the simulation molecule number density. The second major contribution extends the parallelisation of the DSMC method. The implementation developed in this thesis combines the capability to use a cluster of computers to increase the maximum size of problem that can be solved while simultaneously allowing excess computational resources to decrease the total solution time. Results are presented to verify the accuracy of the underlying DSMC implementation, the utility of the solution adaption algorithms and the efficiency of the parallelisation implementation

A Parallel Solution Adaptive Implementation of the Direct Simulation Monte Carlo Method

This thesis deals with the direct simulation Monte Carlo (DSMC) method of analysing gas flows. The DSMC method was initially proposed as a method for predicting rarefied flows where the Navier-Stokes equations are inaccurate. It has now been extended to near continuum flows. The method models gas flows using simulation molecules which represent a large number of real molecules in a probabilistic simulation to solve the Boltzmann equation. Molecules are moved through a simulation of physical space in a realistic manner that is directly coupled to physical time such that unsteady flow characteristics are modelled. Intermolecular collisions and moleculesurface collisions are calculated using probabilistic, phenomenological models. The fundamental assumption of the DSMC method is that the molecular movement and collision phases can be decoupled over time periods that are smaller than the mean collision time. Two obstacles to the wide spread use of the DSMC method as an engineering tool are in the areas of simulation configuration, which is the configuration of the simulation parameters to provide a valid solution, and the time required to obtain a solution. For complex problems, the simulation will need to be run multiple times, with the simulation configuration being modified between runs to provide an accurate solution for the previous run's results, until the solution converges. This task is time consuming and requires the user to have a good understanding of the DSMC method. Furthermore, the computational resources required by a DSMC simulation increase rapidly as the simulation approaches the continuum regime. Similarly, the computational requirements of three-dimensional problems are generally two orders of magnitude more than two-dimensional problems. These large computational requirements significantly limit the range of problems that can be practically solved on an engineering workstation or desktop computer. The first major contribution of this thesis is in the development of a DSMC implementation that automatically adapts the simulation. Rather than modifying the simulation configuration between solution runs, this thesis presents the formulation of algorithms that allow the simulation configuration to be automatically adapted during a single run. These adaption algorithms adjust the three main parameters that effect the accuracy of a DSMC simulation, namely the solution grid, the time step and the simulation molecule number density. The second major contribution extends the parallelisation of the DSMC method. The implementation developed in this thesis combines the capability to use a cluster of computers to increase the maximum size of problem that can be solved while simultaneously allowing excess computational resources to decrease the total solution time. Results are presented to verify the accuracy of the underlying DSMC implementation, the utility of the solution adaption algorithms and the efficiency of the parallelisation implementation

Development of a two-temperature open source CFD model for hypersonic reacting flows

The highly complex flow physics that characterise re-entry conditions have to be reproduced by means of numerical simulations with both an acceptable level of accuracy and within reasonable timescales. In this respect, a new CFD solver, hyFoam, has been developed within the framework of the open-source CFD platform OpenFOAM for modelling hypersonic reacting flows. hyFoam has been successfully validated for two 0-degree adiabatic heat bath test cases and the limitations of a one-temperature CFD model have been highlighted. To cope with high-temperature gas chemistry, the internal energy has been decomposed into its elementary energy modes, thus introducing the translational-rotational and the vibrational temperatures. A two-temperature CFD model is being implemented in order to attain a better agreement between CFD and DSMC results. Validation of the code for a single species has been executed while mixture-related libraries are currently being developed. The vibrational-translational relaxation time formulation has also been presented and discussed