Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids

Journal of Chemical Physics

Volumn 130, Issue 13, 2009, Pages

  Voulgarakis, Nikolaos K ^a   Chu, Jhih Wei ^a  

^a University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUTO CORRELATION FUNCTIONS; BULK VISCOSITIES; CELL LENGTHS; CENTER OF MASS; CENTRAL DIFFERENCE METHODS; COARSE-GRAINING; COMPLEX FLUIDS; DENSITY FLUCTUATIONS; DISCRETIZATION SCHEMES; EULERIAN; FIELD VARIABLES; FLUCTUATION-DISSIPATION THEOREMS; GRAND CANONICAL ENSEMBLES; HYDRODYNAMIC MODELS; LENGTH-SCALE; MD SIMULATIONS; MOLECULAR-DYNAMICS SIMULATIONS; MOMENTUM FIELDS; MULTI-SCALE; PHYSICAL BEHAVIORS; RADIAL DISTRIBUTION FUNCTIONS; SOUND VELOCITIES; THREE-DIMENSIONAL SPACES; TRANSIENT FLUID FLOWS; VELOCITY VECTORS; WATER MOLECULES;

DISTRIBUTION FUNCTIONS; FLUIDS; HYDRODYNAMICS; MOLECULAR DYNAMICS; MOLECULES; REGRESSION ANALYSIS; SUPRAMOLECULAR CHEMISTRY; THREE DIMENSIONAL;

FLUID DYNAMICS;

EID: 64549094180     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3106717     Document Type: Article

References (31)

1. R. K. Soong, G. D. Bachand, H. P. Neves, A. G. Olkhovets, H. G. Craighead, and C. D. Montemagno, Science 0036-8075 10.1126/science.290.5496.1555 290, 1555 (2000).
2. M. Moseler and U. Landman, Science 0036-8075 10.1126/science.289.5482. 1165 289, 1165 (2000).
3. K. Kadau, T. C. Germann, N. G. Hadjiconstantinou, P. S. Lomdahl, G. Dimonte, B. L. Holian, and B. J. Alder, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.0401228101 101, 5851 (2004).
4. L. D. Landau and E. M. Lifshitz, Fluid Mechanics (Pergamon, New York, 1959).
5. A. J. C. Ladd, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.70.1339 70, 1339 (1993).
6. J. J. Monaghan, Annu. Rev. Astron. Astrophys. 0066-4146 10.1146/annurev.aa.30.090192.002551 30, 543 (1992).
7. P. J. Hoogerbrugge and J. M. V. A. Koelman, Europhys. Lett. 0295-5075 10.1209/0295-5075/19/3/001 19, 155 (1992).
8. P. Espanol, Europhys. Lett. 0295-5075 10.1209/epl/i1997-00515-8 40, 631 (1997); P. Espanol, M. Serrano, and H. C. Ottinger, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83.4542 83, 4542 (1999).
9. P. Ahlrichs and B. Dunweg, J. Chem. Phys. 0021-9606 10.1063/1.480156 111, 8225 (1999).
10. G. De Fabritiis, R. Delgado-Buscalioni, and P. V. Coveney, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.97.134501 97, 134501 (2006).
11. G. Giupponi, G. De Fabritiis, and P. V. Coveney, J. Chem. Phys. 0021-9606 126, 154903 (2007). 10.1063/1.2720385
12. G. De Fabritiis, M. Serrano, R. Delgado-Buscalioni, and P. V. Coveney, Phys. Rev. E 1063-651X 10.1103/PhysRevE.75.026307 75, 026307 (2007).
13. J. B. Bell, A. L. Garcia, and S. A. Williams, Phys. Rev. E 1063-651X 10.1103/PhysRevE.76.016708 76, 016708 (2007).
14. W. G. Noid, J. -W. Chu, G. S. Ayton, V. Krishna, S. Izvekov, G. A. Voth, A. Das, and H. C. Andersen, J. Chem. Phys. 0021-9606 10.1063/1.2938860 128, 244114 (2008).
15. J. -W. Chu and G. A. Voth, Biophys. J. 0006-3495 90, 1572 (2006). 10.1529/biophysj.105.073924
16. P. Rein ten Wolde, S. X. Sun, and D. Chandler, Phys. Rev. E 1063-651X 10.1103/PhysRevE.65.011201 65, 011201 (2001).
17. P. R. ten Wolde and D. Chandler, Proc. Natl. Acad. Sci. U.S.A. 0027-8424 10.1073/pnas.052153299 99, 6539 (2002).
18. J. H. Irving and J. Kirkwood, J. Chem. Phys. 0021-9606 18, 817 (1950). 10.1063/1.1747782
19. D. J. Evans and G. P. Morriss, Statistical Mechanics of NonEquilibrium Liquids (Academic, London, 1990).
20. W. Press, S. Teukolsky, W. Vetterling, and B. Flannery, Numerical Recipes (Cambridge University Press, New York, 1992).
21. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, New York, 1989).
22. G. -J. Guo and Y. -G. Zhang, Mol. Phys. 0026-8976 10.1080/ 00268970010011762 99, 283 (2001).
23. J. P. Boon and S. Yip, Molecular Hydrodynamics (McGraw-Hill, New York, 1980).
24. J. Keizer, Statistical Thermodynamics of Nonequilibrium Processes (Springer-Verlag, New York, 1987).
25. B. Brooks, R. Bruccoleri, B. Olafson, D. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983). 10.1002/jcc.540040211
26. W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. 0021-9606 10.1063/1.445869 79, 926 (1983).
27. T. Darden, D. York, and L. Pedersen, J. Chem. Phys. 0021-9606 10.1063/1.464397 98, 10089 (1993); U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 0021-9606 10.1063/1.470117 103, 8577 (1995).
28. J. -P. Ryckaert, G. Ciccotti, and H. Berendsen, J. Comput. Phys. 0021-9991 10.1016/0021-9991(77)90098-5 23, 327 (1977).
29. S. Nose, J. Chem. Phys. 0021-9606 10.1063/1.447334 81, 511 (1984); W. G. Hoover, Phys. Rev. A 1050-2947 10.1103/PhysRevA.31.1695 31, 1695 (1985).
30. R. Chang, G. S. Ayton, and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.1931651 122, 244716 (2005).
31. Y. Wu, H. L. Tepper, and G. A. Voth, J. Chem. Phys. 0021-9606 10.1063/1.2136877 124, 024503 (2006).