Multiscale flow simulations using particles

Annual Review of Fluid Mechanics

Volumn 37, Issue , 2005, Pages 457-487

  Koumoutsakos, Petros ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

Continuum molecular simulations; Domain decomposition; Molecular dynamics; Smooth particle hydrodynamics; Vortex methods

Indexed keywords

BOUNDARY CONDITIONS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; HYDRODYNAMICS; TURBULENT FLOW; VORTEX FLOW;

MOLECULAR PHENOMENA; MOLECULAR-CONTINUUM SIMULATIONS; MULTISCALE FLOW SIMULATIONS; VORTEX METHODS;

FLUID MECHANICS;

COMPUTATIONAL FLUID DYNAMICS; FLUID MECHANICS; HYDRODYNAMICS; MECHANICAL PROPERTY; MULTIPHASE FLOW;

EID: 14544289547     PISSN: 00664189     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.fluid.37.061903.175753     Document Type: Review

References (104)

1. Alder BJ, Wainwright TE. 1957. Phase transition for a hard sphere system. J. Chem. Phys. 27(5):1208-9
2. Allen MP, Tildesley DJ. 1987. Computer Simulation of Liquids. Oxford: Clarendon
3. Anderson CR. 1992. An implementation of the fast multipole method without multipoles. SIAM J. Sci. Stat. Comput. 13(4):923-47
4. Anderson CR, Reider MB. 1996. A high order explicit method for the computation of flow about a circular cylinder. J. Comput. Phys. 125:207-24
5. Babuska I, Banerjee U, Osborn J. 2002. Meshless and generalized finite element methods: a survey of some major results. In Meshfree Methods for Partial Differential Equations, M Griebel, ed. pp. 1-20. Berlin: Springer Verlag
6. Barnes J, Hut P. 1986. A hierarchical O(N log N) force-calculation algorithm. Nature 324(4):446-49
7. Beale JT. 1986. A convergent 3-D vortex method with grid-free stretching. Math. Comput. 46:401-24
8. Belytschko T, Krongauz Y, Organ D, Fleming M, Krysl P. 1996. Meshless methods: an overview and recent developments. Comp. Meth. Appl. Mech. & Eng. 139(1-4):3-47
9. Bergdorf M, Cottet GH, Koumoutsakos P. 2004. Multilevel adaptive particle methods for convection-diffusion equations. Multiscale Model. Simul. In press
10. Berkowitz M, McCammon JA. 1982. Molecular-dynamics with stochastic boundary-conditions. Chem. Phys. Lett. 90(3):215-17
11. Bird GA. 1994. Molecular Gas Dynamics and the Direct Simulation of Gas Flows. Oxford: Clarendon
12. Breuer HP, Petruccione F. 1992. A stochastic approach to computational fluid dynamics. Continuum Mech. Thermodyn. 4:247-67
13. Breuer HP, Petruccione F. 1995. How to build master equations for complex systems. Continuum Mech. Thermodyn. 7:439-73
14. Brünger A, Brooks CL, Karplus M. 1984. Stochastic boundary conditions for molecular dynamics simulations of ST2 water. Chem. Phys. Lett. 105(5):495-500
15. Ceniceros HD, Hou TY. 2001. An efficient dynamically adaptive mesh for potentially singular solutions. J. Comput. Phys. 172(2):609-39
16. Chaniotis AK, Poulikakos D, Koumoutsakos P. 2002. Remeshed smooth particle hydrodynamics for the simulation of viscous and heat conducting flows. J. Comput. Phys. 182:67-90
17. Chorin AJ. 1973. Numerical study of slightly viscous flow. J. Fluid Mech. 57(Part 4):785-96
18. Cleveland W, Loader C. 1996. Smoothing by local regression: principles and methods. In Statistical Theory and Computational Aspects of Smoothing, W Haerdle, GE Schimek, ed. pp. 10-49. Berlin: Springer
19. Cottet GH. 1990. A particle-grid superposition method for the Navier-Stokes equations. J Comput. Phys. 89:301-18
20. Cottet GH. 1996. Artiticial viscosity models for vortex and particle methods. J. Comput. Phys. 127:299-308
21. Cottet GH. 2002. A particle model for fluid structure interaction. C.R. Acad. Sci. Paris Ser. I 335:833-38
22. Cottet GH, Koumoutsakos P. 2000. Vortex Methods - Theory and Practice New York: Cambridge Univ. Press
23. Cottet GH, Koumoutsakos P, Salihi MLO. 2000. Vortex methods with spatially varying cores. J. Comput. Phys. 162(1):164-85
24. Cottet GH, Michaux B, Ossia S, VanderLinden G. 2002. A comparison of spectral and vortex methods in three-dimensional incompressible flows. J. Comput. Phys. 175:702-12
25. Cottet GH, Poncet P. 2004. Advances in direct numerical simulations of 3D wall-bounded flows by Vortex-in-Cell methods. J. Comput. Phys. 193(1):136-58
26. Cummings PT, Evans DJ. 1992. Nonequilibrium molecular dynamics approaches to transport properties and non-Newtonian fluidy rheology. Ind. Eng. Chem. Res. 31:1237-52
27. Darden T, York D, Pedersen L. 1993. Particle mesh Ewald: An N - log N method for Ewald sums in large systems. J. Chem. Phys. 98(12):10089-92
28. Degond P, Mas-Gallic S. 1989a. The weighted particle method for convection-diffusion equations. Part 1: The case of an isotropic viscosity. Math. Comput. 53(188):485-507
29. Degond P, Mas-Gallic S. 1989b. The weighted particle method for convection-diffusion equations. Part 2: The anisotropic case. Math. Comput. 53(188):509-25
30. Delgado-Buscalioni R, Coveney PV. 2003. Continuum-particle hybrid coupling for mass, momentum, and energy transfers in unsteady flow. Phys. Rev. E 67:046704-1-046704-13
31. Duarte CA, Oden JT. 1996. An h-p adaptive method using clouds. Comp. Meth. Appl. Mech. Eng. 139(1-4):237-62
32. E W, Engquist B. 2003. The heterogeneous multiscale methods. Commun. Math. Sci. 1(1):87-132
33. Eldredge J, Colonius T, Leonard A. 2001. A vortex particle method for compressible flows. AIAA Pap. 2641:1-9
34. Eldredge JD, Leonard A, Colonius T. 2002. A general deterministic treatment of derivatives in particle methods. J. Comput. Phys. 180(2):686-709
35. Ellero M, Kröger M, Hess S. 2002. Viscoelastic flows studied by smoothed particle dynamics. J. Non-Newton. Fluid Mech. 105(1):35-51
36. Enright D, Fedkiw R, Ferziger J, Ian M. 2002. A hybrid particle level set method for improved interface capturing. J. Comput. Phys. 183:83-116
37. Espanol P, Revenga M. 2003. Smoothed dissipative particle dynamics. Phys. Rev. E 67(4):026705-1-026705-12
38. Ewald PP. 1921. Die Berechnung Optischer und Elektrostatische Gitterpotentiale. Annalen der Physik 64:253-87
39. Fermi E, Pasta J, Ulam S. 1955. Studies in nonlinear problems. Los Alamos Rep. LA-1940
40. Fischer P. 1997. An overlapping Schwarz method for spectral element solution of the incompressible Navier-Stokes equations. J. Comput. Phys. 133:84-101
41. Flekkøy EG, Wagner G, Feder J. 2000. Hybrid model for combined particle and continuum dynamics. Europhys. Lett. 52(3):271-76
42. Garcia AL, Bell JB, Crutchfield WY, Alder BJ. 1999. Adaptive mesh and algorithm refinement using direct simulation Monte Carlo. J. Comput. Phys. 154:134-55
43. Ghoniem AF, Oppenheim AK. 1984. Numerical solution for the problem of flame propagation by the random element method. AIAA J. 22(10):1429-35
44. Gingold RA, Monaghan JJ. 1983. Shock simulation by the particle method sph. J. Comput. Phys. 52(2):374-89
45. Glotzer SC, Paul W. 2002. Molecular and mesoscale simulation methods for polymer materials. Annu. Rev. Mater. Res. 32:401-36
46. Greengard L, Rokhlin V. 1988. The rapid evaluation of potential fields in three dimensions. Lect. Notes Math. 1360:121-41
47. Guskov I, Khodakovsky A, Schröder P, Sweldens W. 2002. Hybrid meshes: multiresolution using regular and irregular refinement. In Proc. 18th Ann. Symp. Comput. Geom., pp. 264-72. Barcelona: ACM
48. Hadjiconstantinou NG. 1999a. Combining atomistic and continuum simulations of contact line motion. Phys. Rev. E 59(2):2475-78
49. Hadjiconstantinou NG. 1999. Hybrid atomistic-continuum formulations and the moving contact-line problem. J. Comput. Phys. 154:245-65
50. Hadjiconstantinou NG, Garcia AL, Bazant MZ, He G. 2003. Statistical error in particle simluations of hydrodynamic phenomena. J. Comput. Phys. 187:274-97
51. Hadjiconstantinou NG, Patera AT. 1997. Heterogeneous atomistic-continuum representations for dense fluid systems. Int. J. Mod. Phy. C 8(4):967-76
52. Harlow FH. 1964. Particle-in-cell computing method for fluid dynamics. Methods Comput. Phys. 3:319-43
53. Hieber SE, Koumoutsakos P. 2004. A Langrangian particle level set method. J. Comput. Phys. Submitted
54. Hockney RW, Eastwood JW. 1988. Computer Simulation Using Particles 2nd ed. Bristol, PA: Inst. Phys. Publ.
55. Hockney RW, Goel SP, Eastwood JW. 1973. A 10000 particle molecular dynamics model with long-range forces. Chem. Phys. Lett. 21:589-91
56. Hoogerbrugge PJ, Koelman JMVA. 1992. Simulating microscopic hydrodynamics phenomena with dissipative particle dynamics. Europhys. Lett. 19(3):155-60
57. Hou TY. 1990. Convergence of a variable blob vortex method for the Euler and Navier-Stokes equations. SIAM J. Numer. Anal. 27:1387-404
58. Hou TY. 2004. Multiscale modeling and computation of incompressible flow. In Applied Mathematics Entering the 21st Century: Invited Talks from the ICIAM 2003 Congress, ed. JM Hill, R Moore. SIAM Publ.
59. Hummer G, Rasaiah JC, Noworyta. JP. 2001. Water conduction through the hydrophobic channel of a carbon nanotube. Nature 414:188-90
60. Karniadakis GE, Beskok A. 2002. Micro Flows. Fundamentals and Simulation. New York: Springer-Verlag
61. Knio OM, Ghoniem AF. 1992. The three-dimensional structure of periodic vorticity layers under non-symmetrical conditions. J. Fluid Mech. 243:353-92
62. Koplik J, Banavar JR. 1995. Corner flow in the sliding plate problem. Phys. Fluids 7(12):3118-25
63. Koumoutsakos P, Leonard A. 1995. High-resolution simulation of the flow around an impulsively started cylinder using vortex methods. J. Fluid Mech. 296:1-38
64. Koumoutsakos P, Leonard A, Pépin F. 1994. Boundary conditions for viscous vortex methods. J. Comput. Phys. 113(1):52-61
65. Koumoutsakos P, Zimmerli U, Werder T, Walther JH. 2004. Nanoscale fluid mechanics. In The Handbook of Nanotechnology. Nanometer Structures. Theory, Modeling, and Simulation. pp. 319-93
66. Krasny R. 1986. A study of singularity formation in a vortex sheet by the point vortex approximation. J.Fluid Mech. 167:65-93
67. Kremer K, Müller-Plathe F. 2002. Multiscale simulation in polymer science. Mol. Sim. 28: 729-50
68. Leonard A. 1985. Computing three-dimensional incompressible flows with vortex elements. Annu. Rev. Fluid Mech. 17:523-59
69. Li J, Liao D, Yip S. 1998. Coupling continuum to molecular-dynamics simulation: reflecting particle method and the field estimator. Phys. Rev. E 57(6):7259-67
70. Li J, Liao D, Yip S. 1999. Nearly exact solution for coupled continuum/ MD fluid simulation. J. Comput.-Aided Mat. Design 6:95-102
71. Maruyama S. 2001. Molecular dynamics methods for microscale heat transfer. In Advances in Numerical Heat Transfer, Vol. 2, ed. WJ Minkowycz, EME Sparrow, pp. 189-226. New York: Taylor and Francis
72. Mathiowetz AM, Jain A, Karasawa N, Goddard WA III. 1994. Protein simulations using techniques for very large systems-the cell multipole method for nonbond interactions and the Newton-Euler inverse mass operator method for internal coordinate dynamics. Proteins 20(3):227-47
73. Micci MM, Kaltz TL, Long LN. 2001. Molecular dynamics simulations of atomization and spray phenomena. Atomization Sprays/ 11(4):351-63
74. Mittal R, Iaccarino G. 2005. Immersed boundary methods for viscous flow. Annu. Rev. Fluid Mech. 37. In press
75. Monaghan JJ. 1985a. Extrapolating B splines for interpolation. J. Comput. Phys. 60(2): 253-62
76. Monaghan JJ. 1985b. Particle methods for hydrodynamics. Comp. Phys. Rep./ 3:71-123
77. Monaghan JJ. 1988. An introduction to SPH. Comp. Phys. Commun. 48(1):89-96
78. O'Connell ST, Thompson PA. 1995. Molecular dynamics-continuum hybrid computations: a tool for studying complex fluid flow. Phys. Rev. E 52(6):R5792-95
79. Osher S, Fedkiw RP. 2001. Level set methods: an overview and some recent results. J. Comput. Phys. 169(2):463-502
80. Ould-Salihi ML, Cottet GH, El Hamraoui M. 2000. Blending finite-difference and vortex methods for incompressible flow computations. SIAM J. Sci. Comput. 22(5):1655-74
81. Ploumhans P, Winckelmans GS, Salmon JK, Leonard A, Warren MS. 2002. Simulation of three-dimensional bluff body flows: applications to the sphere at Re = 300, 500 and 1000. J. Comput. Phys. 178:427-63
82. Poncet P. 2004. Topological aspects of the three-dimensional wake behind rotary oscillating circular cylinder. J. Fluid Mech. In press
83. Rahman A, Stillinger FH. 1971. Molecular dynamics study of liquid water. J. Chem. Phys. 55(7):3336-59
84. Raviart PA. 1986. Particle approximation of first-order systems. J. Comput. Math. 4(1):50-61
85. Rosenhead L. 1930. The spread of vorticity in the wake behind a cylinder. Proc. R. Soc. A 127(A):590-12
86. Ryckaert JP, Bellemans A, Ciccotti G, Paolini GV. 1989. Evaluation of transport coefficients of simple fluids by molecular dynamics: comparison of Green-Kubo and nonequilibrium approaches for shear viscosity. Phys. Rev. A 39(1):259-67
87. Sagui C, Darden TD. 1999. Molecular dynamics simulations of biomolecules: long-range electrostatic effects. Annu. Rev. Biophys. Biomol. Struc. 28:155-79
88. Sarpkaya T. 1989. Computational methods with vortices-the 1988 Freeman scholar lecture. J. Fluids Eng. 111:5-52
89. Schlick T. 2002. Molecular modeling and simulation, Vol. 21. In Interdisciplinary Applied Mathematics. New York: Springer-Verlag
90. Schoenberg IJ. 1946. Contribution to the problem of approximation of equidistant data by analytic functions. Q. Appl. Math. 4:45-99, 112-41
91. Serrano M, Espanol P. 2001. Thermodynamically consistent mesoscopic fluid particle model. Phys. Rev. E 64:046115-1-04611518
92. Sokhan VP, Nicholson D, Quirke N. 2002. Fluid flow in nanopores: accurate boundary conditions for carbon nanotubes. J. Chem. Phys. 117(18):8531-39
93. Strain J. 1997. Fast adaptive 2D vortex methods. J. Comput. Phys. 132:108-22
94. Sun QH, Boyd ID, Candler GV. 2004. A hybrid continuum/particle approach for modeling subsonic, rarefield gas flow. J. Comput. Phys. 194(1):256-77
95. Tuckerman ME, Mundy CJ, Balasubramanian S, Klein ML. 1997. Modified nonequilibrium molecular dynamics for fluid flows with energy conservation. J. Chem. Phys. 106(13):5615-21
96. van Kampen NG. 1981. Stochastic Processes in Physics and Chemistry Amsterdam: North-Holland
97. Verlet L. 1968. Computer experiments on classical fluids. ii. Equilibrium correlation functions. Phys. Rev. 165(1):201-14
98. Wagner G, Flekkøy E, Feder J, Jossang T. 2002. Coupling molecular dynamics and continuum dynamics. Comp. Phys. Commun. 147:670-73
99. 60 and carbon nanotubes in water. Carbon 42(5-6)1185-94
100. Walther JH, Koumoutsakos P. 2001. Three-dimensional particle methods for particle laden flows with two-way coupling. J. Comput. Phys. 167:39-71
101. Walther JH, Werder T, Jaffe RL, Koumoutsakos P. 2004. Hydrodynamic properties of carbon nanotubes. Phys. Rev. E 69:062201-1-062201-4
102. Warren PB. 1998. Dissipative particle dynamics. Curr Opin. Colloid Inter. Sci. 3:620-29
103. Werder T, Walther JH, Koumoutsakos P. 2004. Hybrid atomistic-continumn method for the simulation of dense fluid flow. J. Comput. Phys. Accepted
104. Zimmermann S, Koumoutsakos P, Kinzelbach W. 2001. Simulation of pollutant transport using a particle method. J. Comput. Phys. 173:322-47