Comparison of dissipative particle dynamics and Langevin thermostats for out-of-equilibrium simulations of polymeric systems

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 76, Issue 2, 2007, Pages

  Pastorino, C ^a,b   Kreer, T ^c   Muller M ^d   Binder, K ^b  

^a Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c INSTITUT CHARLES SADRON   (France)

^d Institut Theoretische Physik   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DYNAMICS; PHASE EQUILIBRIA; SLIDING MODE CONTROL; SOLVENTS; THERMAL EFFECTS;

POLYMER BRUSHES; POLYMERIC LIQUIDS; POLYMERIC SYSTEMS; SLIDING MOTION;

THERMOSTATS;

EID: 34548204923     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.76.026706     Document Type: Article

References (37)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1990).
2. The regime in which the accelerations are kept and are integrated explicitly is in general called stochastic dynamics. Alternatively, if friction and random forces are big enough, the instantaneous values of the accelerations can be set to zero. This is typically referred to as Brownian dynamics.
3. P. H. Hünenberger, Adv. Polym. Sci. APSIDK 0065-3195 173, 105 (2005).
4. G. Grest, Adv. Polym. Sci. APSIDK 0065-3195 138, 1 (1999).
5. N. V. Priezjev, A. A. Darhuber, and S. M. Troian, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.71.041608 71, 041608 (2005).
6. N. V. Priezjev and S. M. Troian, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.92.018302 92, 018302 (2004).
7. T. Soddemann, B. Dünweg, and K. Kremer, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.68.046702 68, 046702 (2003).
8. B. Smit and D. Frenkel, Understanding Molecular Simulation, 2nd ed. (Academic, New York, 2002).
9. P. J. Hoogerbrugge and J. M. V. A. Koelman, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/19/3/001 19, 155 (1992).
10. P. Español and P. Warren, Europhys. Lett. EULEEJ 0295-5075 10.1209/0295-5075/30/4/001 30, 191 (1995).
11. P. Español, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.52.1734 52, 1734 (1995).
12. R. D. Groot and P. B. Warren, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.474784 107, 4423 (1997).
13. B. Dünweg, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465444 99, 6977 (1993).
14. T. A. Thompson and M. O. Robbins, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.41.6830 41, 6830 (1990).
15. C. Pastorino, K. Binder, T. Kreer, and M. Müller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2162883 124, 064902 (2006).
16. I. Vattulainen, M. Karttunen, G. Besold, and J. M. Polson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1450554 116, 3967 (2002).
17. G. Besold, I. Vattulainen, M. Karttunen, and J. M. Polson, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.62.R7611 62, R7611 (2000).
18. I. Pagonabarraga, M. H. Hagen, and D. Frenkel, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i1998-00258-6 42, 377 (1998).
19. G. S. Grest and K. Kremer, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.33.3628 33, 3628 (1986).
20. M. Müller and L. G. MacDowell, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2001-00403-3 55, 221 (2001).
21. T. Kreer, M. H. Müser, K. Binder, and J. Klein, Langmuir LANGD5 0743-7463 10.1021/la010807k 17, 7804 (2001).
22. T. Kreer, K. Binder, and M. H. Müser, Langmuir LANGD5 0743-7463 10.1021/la030008x 19, 7551 (2003).
23. T. Kreer, S. Metzger, M. Müller, K. Binder, and J. Baschnagel, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1642615 120, 4012 (2004).
24. L. G. MacDowell and M. Müller, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2172597 124, 084907 (2006).
25. J. Klein, D. Perahia, and S. Warburg, Nature NATUAS 0028-0836 10.1038/352143a0 352, 143 (1991).
26. J. Klein, E. Kumacheva, D. Mahalu, D. Perahia, and L. J. Fetters, Nature NATUAS 0028-0836 10.1038/370634a0 370, 634 (1994).
27. M. Kröger, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2003.10.014 390, 453 (2004).
28. J. Baschnagel and F. Varnik, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/17/32/R02 17, R851 (2005).
29. B. Dünweg and K. Kremer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.465445 99, 6983 (1993).
30. L. González MacDowell, M. Müller, C. Vega, and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481807 113, 419 (2000).
31. M. Müller and L. G. MacDowell, Macromolecules MAMOBX 0024-9297 10.1021/ma991796t 33, 3902 (2000).
32. M. Müller and L. González MacDowell, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/19/201 15, R609 (2003).
33. S. Barsky and M. O. Robbins, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.63.021801 63, 021801 (2001).
34. P. Y. Lai and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.463554 97, 586 (1992).
35. P. Y. Lai and K. Binder, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464164 98, 2366 (1993).
36. K. Binder, P. Y. Lai, and J. Wittmer, Faraday Discuss. FDISE6 0301-7249 10.1039/fd9949800097 98, 97 (1994).
37. H. C. Brinkman, Appl. Sci. Res., Sect. A ASRAA9 0365-7132 10.1063/1.1312272 1, 27 (1949).