Skip to main content
Article thumbnail
Location of Repository

Mesoscale flow and heat transfer modelling and its application to liquid and gas flows

By Nikolaos Asproulis, Marco Kalweit, Evgeniy Shapiro and Dimitris Drikakis

Abstract

Advances in micro and nanofluidics have influenced technological developments in several areas, including materials, chemistry, electronics and bio-medicine. The phenomena observed at micro and nanoscale are characterised by their inherent multiscale nature. Accurate numerical modelling of these phenomena is the cornerstone for enhancing the applicability of micro and nanofluidics in the industrial environment. We investigated different strategies for applying macroscopic boundary conditions to microscopic simulations. Continuous rescaling of atomic velocities and velocity distribution functions, such as Maxwell-Boltzmann or Chapman-Enskog, were investigated. Simulations were performed for problems involving liquids and gases under different velocity and temperature conditions. The results revealed that the selection of the most suitable method is not a trivial issue and depends on the nature of the problem, availability of computational resource and accuracy requirement

Topics: multiscale modelling heat transfer molecular dynamics hybrid atomistic continuum methods micro/nanofluid dynamics molecular-dynamics simulation continuum simulations fluid particle microscale roughness
Year: 2009
DOI identifier: 10.1117/1.3269638
OAI identifier: oai:dspace.lib.cranfield.ac.uk:1826/5418
Provided by: Cranfield CERES
Journal:

Suggested articles

Citations

  1. (2004). A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow,” doi
  2. (2007). A continuum-atomistic simulation of heat transfer in micro- and nano-flows,” doi
  3. (2007). A dynamic coupling model for hybrid atomistic-continuum computations,” doi
  4. (2004). A hybrid atomistic-continuum formulation for unsteady, viscous, incompressible flows,”
  5. (2008). A hybrid molecular continuum method using point wise coupling,” doi
  6. (2007). A modular particle-continuum numerical method for hypersonic non-equilibrium gas flows,” doi
  7. (1967). Computer ’experiments’ on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules,” Phys. Rev.159, doi
  8. (2003). Continuum-particle hybrid coupling for mass, momentum and energy transfers,” doi
  9. (2008). Coupling strategies for hybrid molecularcontinuum simulation methods,” doi
  10. (1995). Fast parallel algorithms for short-range molecular dynamics,” doi
  11. (2005). Flux boundary conditions in particle simulations,” doi
  12. (2002). Fundamentals of Classical and Statistical Thermodynamics, doi
  13. (2006). Gas and liquid transport at the microscale,” doi
  14. (1998). Generation of the chapman-enskog distribution,” doi
  15. (1997). Heterogeneous atomistic-continuum representations for dense fluid systems,” doi
  16. (2005). Heterogeneous multiscale method for the modeling of complex fluids and micro-fluidics,” doi
  17. (2005). Hybrid atomistic-continuum method for the simulation of dense fluid flows,” doi
  18. (2000). Hybrid model for combined particle and continuum dynamics,” doi
  19. (2004). Hybrid molecular-continuum fluid dynamics,” doi
  20. (2008). Hybrid particle-continuum simulations of hypersonic flow over a hollow-cylinder-flare geometry,” doi
  21. (2008). Hybrid particle-continuum simulations of nonequilibrium hypersonic blunt-body flowfields,” doi
  22. (1983). Local equilibrium in stationary states by molecular dynamics,” doi
  23. (2004). Molecular dynamics simulation of liquid argon flow at platinum surfaces,” doi
  24. (1995). Molecular dynamics-continuum hybrid computations: A tool for studying complex fluid flows,” doi
  25. (1923). Multiscale methods for micro/nano flows and materials,” doi
  26. (2006). Multiscale modeling of liquids with molecular specificity,” doi
  27. (2008). Multiscale modelling for flows and materials,” in Cranfield Multi-Strand Conference, Cranfield, United Kingdom
  28. (2009). Nanoscale materials modeling using neural networks,” doi
  29. (1999). Nearly exact solution for coupled continuum/md fluid simulation,” J.Comp.-Aid.
  30. (2007). Non-maxwell slippage induced by surface roughness for microscale gas flow: A molecular dynamics simulation,” doi
  31. (1991). Nonequilibrium gas flow in the transition regime: A molecular-dynamics study,” doi
  32. (1999). Quantitative analysis of molecular interaction in a microfluidic channel: The t-sensor,” doi
  33. (2002). Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms,
  34. (2006). Resolving singular forces in cavity flow: Multiscale modeling from atomic to millimeter scales,” doi
  35. (2006). The origins and the future of microfluidics,” doi
  36. (2004). Threedimensional hybrid continuum-atomistic simulations for multiscale hydrodynamics,” doi
  37. (2009). to 138.250.27.125. Terms of Use: http://spiedl.org/terms[37]
  38. (2003). Usher: An algorithm for particle insertion in dense fluids,” doi

To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.