Time-step coupling for hybrid simulations of multiscale flows

A new method is presented for the exploitation of time-scale separation in hybrid continuum-molecular models of multiscale flows. Our method is a generalisation of existing approaches, and is evaluated in terms of computational efficiency and physical/numerical error. Comparison with existing schemes demonstrates comparable, or much improved, physical accuracy, at comparable, or far greater, efficiency (in terms of the number of time-step operations required to cover the same physical time). A leapfrog coupling is proposed between the ‘macro’ and ‘micro’ components of the hybrid model and demonstrates potential for improved numerical accuracy over a standard simultaneous approach. A general algorithm for a coupled time step is presented. Three test cases are considered where the degree of time-scale separation naturally varies during the course of the simulation. First, the step response of a second-order system composed of two linearly-coupled ODEs. Second, a micro-jet actuator combining a kinetic treatment in a small flow region where rarefaction is important with a simple ODE enforcing mass conservation in a much larger spatial region. Finally, the transient start-up flow of a journal bearing with a cylindrical rarefied gas layer. Our new time-stepping method consistently demonstrates as good as or better performance than existing schemes. This superior overall performance is due to an adaptability inherent in the method, which allows the most-desirable aspects of existing schemes to be applied only in the appropriate conditions

Multiscale simulation strategies and mesoscale modelling of gas and liquid flows

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.This paper presents a review of multiscale simulation strategies for the modelling of micro- and nanoscale flows. These have been developed in the last two decades in an attempt to bridge the application gap between molecular and continuum simulation methods preventing the simulation of many micro- and nanofluidic devices. The paper is focused on hybrid molecular-continuum methods and reviews different coupling strategies, including geometrical decomposition in conjunction with state- and flux coupling, pointwise coupling, the heterogeneous multiscale method and the equation free approach. The different applications of these methods are briefly discussed

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

Multiscale lattice Boltzmann approach to modeling gas flows

For multiscale gas flows, kinetic-continuum hybrid method is usually used to balance the computational accuracy and efficiency. However, the kinetic-continuum coupling is not straightforward since the coupled methods are based on different theoretical frameworks. In particular, it is not easy to recover the non-equilibrium information required by the kinetic method which is lost by the continuum model at the coupling interface. Therefore, we present a multiscale lattice Boltzmann (LB) method which deploys high-order LB models in highly rarefied flow regions and low-order ones in less rarefied regions. Since this multiscale approach is based on the same theoretical framework, the coupling precess becomes simple. The non-equilibrium information will not be lost at the interface as low-order LB models can also retain this information. The simulation results confirm that the present method can achieve model accuracy with reduced computational cost

Computational uncertainty in hybrid atomistic-continuum frameworks

This paper was presented at the 3rd Micro and Nano Flows Conference (MNF2011), which was held at the Makedonia Palace Hotel, Thessaloniki in Greece. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, Aristotle University of Thessaloniki, University of Thessaly, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute.Over the past decade micro and nanofluidics emerged as vital tools in the ongoing drive towards the development of nano-scale analysis and manufacturing systems. Accurate numerical modelling of the phenomena involved at these scales is ssential in order to speed up the industrial design process for nanotechnology. However a parameter often ignored in hybrid simulations is the uncertainty level introduced in the numerical modelling of phenomena taking place at micro and nanoscales. The main interest of the present study is the propagation of the inherent atomistic fluctuations to the continuum solver in the case of multiscale modelling and hybrid solvers

Hybrid molecular-continuum methods for micro- and nanoscale liquid flows

This paper was presented at the 2nd Micro and Nano Flows Conference (MNF2009), which was held at Brunel University, West London, UK. The conference was organised by Brunel University and supported by the Institution of Mechanical Engineers, IPEM, the Italian Union of Thermofluid dynamics, the Process Intensification Network, HEXAG - the Heat Exchange Action Group and the Institute of Mathematics and its Applications.Many flows at microscale and below are characterised by an inherent multiscale nature and accurate numerical modelling of the phenomena involved is the cornerstone for enhancing the applicability of micro and nanofluidics in the industrial environment. This paper presents a hybrid molecular-continuum strategy named as point wise coupling for studying complex micro- and nanoscale flows. In this strategy one performs continuum simulations and uses a molecular solver for computing flow properties. The hybrid methodology utilises a numerical procedure to minimise the cost of the computationally expensive molecular solver. Simulations have been carried out for a slip Poiseuille flow test case. The hybrid results are in good agreement with analytical solutions and pervious molecular simulations.This study is funded by the EPSRC, MoD and AWE through the grant EP/D051940-JGS 607, as well as from the European Commission under the 6th Framework Program (Project: DINAMICS, NMP4-CT-2007-026804)

Advances in Hybrid Molecular/Continuum Methods for Micro and Nano 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.Next generation uid ow systems are likely to depend on micro or nano scale dynamics that make the system behaviour multiscale in both space and time. There may be strong or weak separation between the length scales and between the time scales in di erent parts of the ow, and these scale-separations may also vary in space and time. In this paper we discuss a practical approach to improving the e ciency of hybrid particle/continuum models of such multiscale ows. Our focus is on adapting the solution method to the local scale-separation conditions, in order to balance compu- tational e ciency with accuracy. We compare results from our new hybridisation in space and time with full molecular simulations of benchmark nanoscale ows

Exploiting timescale separation in micro and nano flows

In this paper we describe how timescale separation in micro/nano flows can be exploited for computational acceleration. A modified version of the seamless heterogenous multiscale method (SHMM) is proposed: a multi-step SHMM. This maintains the main advantages of SHMM (e.g., re-initialisation of micro data is not required; temporal gearing (computational speed-up) is easily controlled; and it is applicable to full and intermediate degrees of timescale separation) while improving on accuracy and greatly reducing the number of macroscopic computations and micro/macro coupling instances required. The improved accuracy of the multi-step SHMM is demonstrated for two canonical one-dimensional transient flows (oscillatory Poiseuille and oscillatory Couette flow) and for rarefied-gas oscillatory Poiseuille flow

Exploiting timescale separation in micro and nano flows

This paper was presented at the 3rd Micro and Nano Flows Conference (MNF2011), which was held at the Makedonia Palace Hotel, Thessaloniki in Greece. The conference was organised by Brunel University and supported by the Italian Union of Thermofluiddynamics, Aristotle University of Thessaloniki, University of Thessaly, IPEM, the Process Intensification Network, the Institution of Mechanical Engineers, the Heat Transfer Society, HEXAG - the Heat Exchange Action Group, and the Energy Institute.In this paper we describe how timescale separation in micro/nano flows can be exploited for computational acceleration. A modified version of the seamless heterogenous multiscale method (SHMM) is proposed: a multi-step SHMM. This maintains the main advantages of SHMM (e.g., re-initialisation of micro data is not required; temporal gearing (computational speed-up) is easily controlled; and it is applicable to full and intermediate degrees of timescale separation) while improving on accuracy and greatly reducing the number of macroscopic computations and micro/macro coupling instances required. The improved accuracy of the multi-step SHMM is demonstrated for two canonical one-dimensional transient flows (oscillatory Poiseuille and oscillatory Couette flow) and for rarefied-gas oscillatory Poiseuille flow.This research is financially supported by the EPSRC Programme Grant EP/I011927/1