Strathprints logo
Strathprints Home | Open Access | Browse | Search | User area | Copyright | Help | Library Home | SUPrimo

MD boundary conditions for pressure gradient flows : nano-mixing and nano-droplet deformation in extensional flows

Borg, Matthew Karl and Nicholls, William and Reese, Jason (2010) MD boundary conditions for pressure gradient flows : nano-mixing and nano-droplet deformation in extensional flows. In: Nanotech 2010. Taylor & Francis, Abingdon. ISBN 9781439834183

[img] PDF
Reese_JM_Pure_MD_boundary_conditions_for_pressure_gradient_flows_Nano_mixing_and_nano_droplet_deformation_in_extensional_flows_2011.pdf - Draft Version

Download (1MB)

Abstract

We present new algorithms for simulating pressure gradient flows in molecular dynamics (MD) simulations. Nano-channel inlet and outlet non-periodic boundary conditions are implemented using hydrodynamic state reservoirs and flux boundary models at arbitrary boundaries of the domain geometry. We demonstrate the new method in a complex nano-mixer configuration and for droplet deformation in extensional flow channels. The technique which we propose is applicable to any complex nano-channel configuration, and may serve as a useful tool in engineering design of nano-scale applications.

Item type: Book Section
ID code: 32105
Keywords: nanofluidics, molecular dynamics, Hybrid Continuum-Molecular, Boundary Conditions, Mechanical engineering and machinery, Solid state physics. Nanoscience, Mechanical Engineering, Mechanics of Materials, Fluid Flow and Transfer Processes
Subjects: Technology > Mechanical engineering and machinery
Science > Physics > Solid state physics. Nanoscience
Department: Faculty of Engineering > Mechanical and Aerospace Engineering
Depositing user: Pure Administrator
Date Deposited: 13 Jul 2011 09:02
Last modified: 21 May 2015 19:22
Related URLs:
URI: http://strathprints.strath.ac.uk/id/eprint/32105

Actions (login required)

View Item View Item