The First Open-Source Software for Non-Continuum Flows in Engineering

Lead Research Organisation: University of Edinburgh
Department Name: Sch of Engineering

Abstract

This project is both multi-scale and multi-disciplinary, and spans research areas across physics, mechanical engineering, computer science and chemical engineering. Our aim is to produce, for the first time, a general, robust and efficient open-source code for the simulation of non-continuum flows for engineering applications. Such flows are vital to the performance of a number of potentially transformative future technologies (e.g., highly-efficient sea-water desalination using membranes of carbon nanotubes, and nano-structured hydrophobic surfaces for marine drag reduction) but they cannot be simulated using conventional continuum-fluid simulations. Our work exploits the core methodological advances emerging from the EPSRC Programme Grant "Non-equilibrium Fluid Dynamics for Micro/Nano Engineering Systems" (EP/I011927/1), which have demonstrated exciting potential in the multi-scale modelling of non-continuum flows using hybrid continuum-particle methods. The software developed in this project builds on the already widely-adopted open-source code OpenFOAM for computational fluid dynamics. In capitalising on a) the success of the UK's OpenFOAM software and b) the EPSRC's Programme Grant investment in a strategic research area, this project aims to bring sustainability to both.

Publications

10 25 50

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Babac G (2014) Knudsen heat capacity in Physics of Fluids

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Docherty S (2016) Coupling heterogeneous continuum-particle fields to simulate non-isothermal microscale gas flows in International Journal of Heat and Mass Transfer

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Docherty S (2014) Multiscale simulation of heat transfer in a rarefied gas in International Journal of Heat and Fluid Flow

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Holland D (2014) Molecular dynamics pre-simulations for nanoscale computational fluid dynamics in Microfluidics and Nanofluidics

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Longshaw S (2018) mdFoam+: Advanced molecular dynamics in OpenFOAM in Computer Physics Communications

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Meng J (2015) Numerical Simulation of Rarefied Gas Flows with Specified Heat Flux Boundary Conditions in Communications in Computational Physics

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Ramisetti S (2017) Liquid slip over gas nanofilms in Physical Review Fluids

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Ritos K (2016) Electric fields can control the transport of water in carbon nanotubes. in Philosophical transactions. Series A, Mathematical, physical, and engineering sciences

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Stephenson D (2014) Multiscale simulation of nanofluidic networks of arbitrary complexity in Microfluidics and Nanofluidics

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Wang W (2018) Numerical Simulation of Ion Transport in a Nano-Electrospray Ion Source at Atmospheric Pressure. in Journal of the American Society for Mass Spectrometry

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White C (2018) dsmcFoam+: An OpenFOAM based direct simulation Monte Carlo solver in Computer Physics Communications

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Wu L (2017) A fast iterative scheme for the linearized Boltzmann equation in Journal of Computational Physics

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Wu L (2015) Fast spectral solution of the generalized Enskog equation for dense gases in Journal of Computational Physics

 
Title Multiscale Simulation of Enhanced Flow in Nanotubes of Different Materials 
Description  
Type Of Material Database/Collection of data 
Year Produced 2016 
Provided To Others? Yes  
 
Title Supporting data for "Electric fields can control the transport of water in carbon nanotubes" 
Description Raw data files produced from Molecular Dynamics simulations. These data have been used to produce all figures and outcomes in the publication. README file list all the files in the compressed file and also explains the meaning of the path name. 
Type Of Material Database/Collection of data 
Year Produced 2015 
Provided To Others? Yes