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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
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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)
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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
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
Multiscale modeling of rapid granular flow with a hybrid discrete-continuum method
Both discrete and continuum models have been widely used to study rapid
granular flow, discrete model is accurate but computationally expensive,
whereas continuum model is computationally efficient but its accuracy is
doubtful in many situations. Here we propose a hybrid discrete-continuum method
to profit from the merits but discard the drawbacks of both discrete and
continuum models. Continuum model is used in the regions where it is valid and
discrete model is used in the regions where continuum description fails, they
are coupled via dynamical exchange of parameters in the overlap regions.
Simulation of granular channel flow demonstrates that the proposed hybrid
discrete-continuum method is nearly as accurate as discrete model, with much
less computational cost
Coupling Lattice Boltzmann and Molecular Dynamics models for dense fluids
We propose a hybrid model, coupling Lattice Boltzmann and Molecular Dynamics
models, for the simulation of dense fluids. Time and length scales are
decoupled by using an iterative Schwarz domain decomposition algorithm. The MD
and LB formulations communicate via the exchange of velocities and velocity
gradients at the interface. We validate the present LB-MD model in simulations
of flows of liquid argon past and through a carbon nanotube. Comparisons with
existing hybrid algorithms and with reference MD solutions demonstrate the
validity of the present approach.Comment: 14 pages, 5 figure
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