Fluid Flows at the Nano Scale: from Molecular Dynamics to Hydrodynamics
Lead Research Organisation:
University of Strathclyde
Department Name: Mechanical and Aerospace Engineering
Abstract
How fluid flows behave at the nano scale is critical to some innovative engineering applications proposed for nanotechnology, such as using nano fibres for desalination, and waste water contaminant control and treatment. However, important aspects of these highly-confined, small-scale flows are not understood. This is because the conventional Navier-Stokes equations with no-slip boundary conditions often do not apply (as the flow is far from equilibrium) or the physical conditions are too complex and system-specific to make accurate a priori assumptions or simplifications. Our vision in this project is, therefore, to provide new understanding of fluid dynamics under these extreme conditions --- beyond that of current models. To do this we will create a unique numerical tool to investigate engineering flows (both gas and liquid) at the smallest scales.Drawing on our distinctive expertise in the UK of modelling non-equilibrium micro scale gas flows, we will develop a new hybrid model that couples a molecular dynamics (MD) description of the flow in arbitrary geometries to a hydrodynamic description. To date, hybrid/MD techniques have remained in the domain of chemistry and physics but our focus will be on problems in engineering science, including modelling high-throughput selective filtration, and exploring how we can manipulate the hydrophobicity, heat transfer, chemical and other fluid/surface properties to produce 'smart' surfaces and structures.
Organisations
People |
ORCID iD |
Jason Reese (Principal Investigator) | |
Tom Scanlon (Co-Investigator) |
Publications
Graham Macpherson (Co-Author)
(2006)
Molecular dynamics for near surface flows in nano liquid and micro gas systems
Graham Macpherson (Co-Author)
(2007)
Parallel evaluation of pair forces for molecular dynamics in arbitrary geometries
Macpherson G
(2007)
Generation of initial molecular dynamics configurations in arbitrary geometries and in parallel
in Molecular Simulation
Matthew Karl Borg (Co-Author)
(2008)
A hybrid particle-continuum framework
Macpherson G
(2008)
Molecular dynamics in arbitrary geometries: Parallel evaluation of pair forces
in Molecular Simulation
Macpherson G
(2008)
Molecular Dynamics for Fluid Mechanics in Arbitrary Geometries
Reese J
(2009)
Simulating Fluid Flows in Micro and Nano Devices: The Challenge of Non-Equilibrium Behaviour
in Journal of Computational and Theoretical Nanoscience
Matthew Karl Borg (Co-Author)
(2010)
MD boundary conditions for pressure gradient flows
Scanlon T
(2010)
An open source, parallel DSMC code for rarefied gas flows in arbitrary geometries
in Computers & Fluids
Description | EPSRC |
Amount | £2,402,942 (GBP) |
Funding ID | EP/I011927/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start |
Description | EPSRC |
Amount | £352,721 (GBP) |
Funding ID | EP/I036117/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start |
Description | EPSRC |
Amount | £2,402,942 (GBP) |
Funding ID | EP/I011927/1 |
Organisation | Engineering and Physical Sciences Research Council (EPSRC) |
Sector | Public |
Country | United Kingdom |
Start |