Simulation of heat transfer in nanoscale flow using molecular dynamics

Darbandi, M ; Sharif University of Technology | 2010

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  1. Type of Document: Article
  2. DOI: 10.1115/FEDSM-ICNMM2010-31065
  3. Publisher: 2010
  4. Abstract:
  5. We investigate heat transfer between parallel plates separated by liquid argon using two-dimensional molecular dynamics (MD) simulations incorporating with 6-12 Lennard-Jones potential between molecule pairs. In molecular dynamics simulation of nanoscale flows through nanochannels, it is customary to fix the wall molecules. However, this approach cannot suitably model the heat transfer between the fluid molecules and wall molecules. Alternatively, we use thermal walls constructed from the oscillating molecules, which are connected to their original positions using linear spring forces. This approach is much more effective than the one which uses a fixed lattice wall modeling to simulate the heat transfer between wall and fluid. We implement this idea in analyzing the heat transfer in a few cases, including the shear driven and poiseuille flow with specified heat flux boundary conditions. In this method, the work done by the viscous stress (in case of shear driven flow) and the force applied to the fluid molecules (in case of poiseuille flow) produce heat in the fluid, which is dissipated from the nanochannel walls. We present the velocity profiles and temperature distributions for the both chosen test cases. As a result of interaction between the fluid molecules and their adjacent wall molecules, we can clearly observe the velocity slip in the velocity profiles and the temperature jump in the cross-sectional temperature distributions
  6. Keywords:
  7. Liquid-solid interface ; Thermostat ; Fluid molecules ; Flux boundary conditions ; Lennard-Jones potential ; Linear spring ; Liquid argon ; Liquid-solid interfaces ; Molecular dynamics simulations ; Nano channels ; Nanoscale flow ; Oscillating molecules ; Parallel plates ; Poiseuille flow ; Shear driven flows ; Simulation of heat transfer ; Temperature jump ; Test case ; Thermal walls ; Velocity profiles ; Velocity slips ; Viscous stress ; Wall modeling ; Dynamics ; Fluids ; Heat flux ; Heat transfer ; Liquefied gases ; Microchannels ; Molecular dynamics ; Molecules ; Nanofluidics ; Phase interfaces ; Plates (structural components) ; Temperature distribution ; Thermostats ; Shear flow
  8. Source: ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010, 1 August 2010 through 5 August 2010, Montreal, QC ; Issue PARTS A AND B , 2010 , Pages 1563-1568 ; 9780791854501 (ISBN)
  9. URL: http://proceedings.asmedigitalcollection.asme.org/proceeding.aspx?articleid=1621617