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Numerical Heat Transfer, Part B: Fundamentals
An International Journal of Computation and Methodology
Volume 61, 2012 - Issue 5
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Original Articles

A Molecular Dynamics and Lattice Boltzmann Multiscale Simulation for Dense Fluid Flows

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Pages 369-386 | Received 22 Apr 2011, Accepted 03 Feb 2012, Published online: 22 Jun 2012

REFERENCES

  • H. Xu , H. B. Luan , Y. L. He , and W. Q. Tao , A Lifting Relation from Macroscopic Variables to Mesoscopic Variables in Lattice Boltzmann Method: Derivation, Numerical Assessments and Coupling Computations Validation, Comput. Fluids , vol. 54, pp. 92–104, 2012.
  • H. B. Luan , H. Xu , L. Chen , D. L. Sun , and W. Q. Tao , Numerical Illustrations of the Coupling between the Lattice Boltzmann Method and Finite-Type Macro-Numerical Methods , Numer. Heat Transfer B , vol. 57 , pp. 147 – 171 , 2010 .
  • W. Q. Tao and Y. L. He , Recent Advances in Multiscale Simulations of Heat Transfer and Fluid Flow Problems , Prog. Comput. Fluid Dynam. , vol. 9 , pp. 150 – 157 , 2009 .
  • Y. L. He and W. Q. Tao , Multiscale Simulation of Heat Transfer and Fluid Flow Problems , ASME J. Heat Transfer , Vol. 134 , no. 3 , 031018 .
  • S. T. O'Connell and P. A. Thompson , Molecular Dynamics-Continuum Hybrid Computations: A Tool for Studying Complex Fluid Flows , Phys. Rev. E , vol. 52 , R5792 , 1995 .
  • N. G. Hadjiconstantinou and A. T. Patera , Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems , Int. J. Mod. Phys. C , vol. 8 , pp. 967 – 976 , 1997 .
  • T. Werder , J. H. Walther , and P. Koumoutsakos , Hybrid Atomistic-Continuum Method for the Simulation of Dense Fluid Flows , J. Comput. Phys. , vol. 205 , pp. 373 – 390 , 2005 .
  • R. Delgado-Buscalioni and P. V. Coveney , USHER: An Algorithm for Particle Insertion in Dense Fluids , J. Chem. Phys. , vol. 119 , pp. 978 – 987 , 2003 .
  • A. Dupuis , E. M. Kotsalis , and P. Koumoutsakos , Coupling Lattice Boltzmann and Molecular Dynamics Models for Dense Fluids , Phys. Rev. E , vol. 75 , 046704 , 2007 .
  • E. G. Flekkoy , G. Wagner , and J. Feder , Hybrid Model for Combined Particle and Continuum Dynamics , Europhys. Lett. , vol. 52 , pp. 271 – 276 , 2000 .
  • R. Delgado-Buscalioni and P. V. Coveney , Continuum-Particle Hybrid Coupling for Mass, Momentum, and Energy Transfers in Unsteady Fluid Flow , Phys. Rev. E , vol. 67 , 046704 , 2003 .
  • G. Wagner and E. G. Flekkoy , Hybrid Computations with Flux Exchange , Phi. Trans.: Math. Phys. Eng. Sci. , vol. 362 , pp. 1655 – 1665 , 2004 .
  • R. Delgado-Buscalioni , E. G. Flekkoy , and P. V. Coveney , Fluctuations and Continuity in Particle-Continuum Hybrid Simulations of Unsteady Flows Based on Flux-Exchange , EPL (Europhysics Letters) , vol. 69 , pp. 959 – 965 , 2005 .
  • G. De Fabritiis , R. Delgado-Buscalioni , and P. V. Coveney , Multiscale Modeling of Liquids with Molecular Specificity , Phys. Rev. Lett. , vol. 97 , 134501 , 2006 .
  • M. Kalweit and D. Drikakis , Coupling Strategies for Hybrid Molecular–Continuum Simulation Methods , Proc. IME C J. Mech. Eng. Sci. , vol. 222 , 797 – 806 , 2008 .
  • S. Succi , O. Filippova , G. Smith , and E. Kaxiras , Applying the Lattice Boltzmann Equation to Multiscale Fluid Problems , Comput. Sci. Eng. , vol. 3 , pp. 26 – 37 , 2001 .
  • C. Aidun and J. Clausen , Lattice-Boltzmann Method for Complex Flows , Annu. Rev. Fluid Mech. , vol. 42 , pp. 439 – 472 , 2010 .
  • M. P. Allen and D. J. Tildesley , Computer Simulation of Liquids , Clarendon Press , Oxford , UK , 1987 .
  • D. C. Rapaport , The Art of Molecular Dynamics Simulation, , 2nd ed. , Cambridge University Press , Cambridge , UK , 2004 .
  • Y. H. Qian , D. D'Humieres , and P. Lallemand , Lattice BGK Models for Navier-Stokes Equation , EPL (Europhysics Letters) , vol. 17 , pp. 479 – 484 , 1992 .
  • P. L. Bhatnagar , E. P. Gross , and M. Krook , A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems , Phys. Rev. , vol. 94 , pp. 511 – 525 , 1954 .
  • R. Benzi , S. Succi , and M. Vergassola , The Lattice Boltzmann Equation: Theory and Applications , Phys. Rep. , vol. 222 , pp. 145 – 197 , 1992 .
  • P. L. Lions , On the Schwarz alternating method. I , in R. Glowinski , G. H. Golub , G. A. Meurant , and J. Périaux , (eds.), First International Symposium on Domain Decomposition Methods for Partial Differential Equations, SIAM, Philadelphia, vol. 1–42, 1988.
  • R. Adhikari , K. Stratford , M. E. Cates , and A. J. Wagner , Fluctuating Lattice Boltzmann, EPL (Europhysics Letters) , vol. 71, p. 473–477, 2005.
  • M. G. Fyta , S. Melchionna , E. Kaxiras , and S. Succi , Multiscale Coupling of Molecular Dynamics and Hydrodynamics: Application to DNA Translocation through a Nanopore , Multiscale Model. Simul. , vol. 5 , pp. 1156 – 1173 , 2006 .
  • R. Hockney and J. Eastwood , Computer Simulation Using Particles , McGraw-Hill , New York , 1981 .
  • P. Vignolo , M. L. Chiofalo , M. P. Tosi , and S. Succi , Explicit Finite-Difference and Particle Method for the Dynamics of Mixed Bose-Condensate and Cold-Atom Clouds , J. Comput. Phys. , vol. 182 , pp. 368 – 391 , 2002 .
  • G. S. Grest and K. Kremer , Molecular Dynamics Simulation for Polymers in the Presence of a Heat Bath , Phys. Rev. A , vol. 33 , p. 3628 – 3631 , 1986 .
  • P. A. Thompson and S. M. Troian , A General Boundary Condition for Liquid Flow at Solid Surfaces , Nature , vol. 389 , pp. 360 – 362 , 1997 .
  • X. B. Nie , S. Y. Chen , W. N. E. and M. O. Robbins , A Continuum and Molecular Dynamics Hybrid Method for Micro- and Nano- Fluid Flow , J. Fluid Mech. , vol. 500 , pp. 55 – 64 , 2004 .
  • K. Meier , A. Laesecke , and S. Kabelac , Transport Coefficients of the Lennard-Jones Model Fluid. I. Viscosity , J. Chem. Phys. , vol. 121 , pp. 3671 – 3687 , 2004 .
  • J. Horbach and S. Succi , Lattice Boltzmann versus Molecular Dynamics Simulation of Nanoscale Hydrodynamic Flows , Phys. Rev. Lett. , vol. 96 , 224503 , 2006 .

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