The Lowe-Andersen thermostat as an alternative to the dissipative particle dynamics in the mesoscopic simulation of entangled polymers

Journal of Chemical Physics

Volumn 138, Issue 17, 2013, Pages

  Khani, Shaghayegh ^a   Yamanoi, Mikio ^a   Maia, Joao ^a  

^a Case Western Reserve University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSIPATIVE PARTICLE DYNAMICS; ENTANGLED POLYMER MELTS; MESOSCOPIC SIMULATION; NONLINEAR VISCO-ELASTIC; REPULSIVE POTENTIALS; RHEOLOGICAL PROPERTY; STATIC AND DYNAMIC CHARACTERISTICS; TIME-INTEGRATING METHODS;

SHEAR FLOW;

THERMOSTATS;

EID: 84877786787     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4802818     Document Type: Article

References (41)

1. M. Doi and S. F. Edwards, The Theory of Polymer Dynamics (Clarendon Press, Oxford, 1986).
2. J. M. Dealy and R. G. Larson, Structure and Rheology of Molten Polymers: From Structure to Flow Behavior and Back Again (Hanser Gardner, 2006).
3. F. Lahmar, C. Tzoumanekas, D. N. Theodorou, and B. Rousseau, Macromolecules 42 (19), 7485 (2009). 10.1021/ma9011329
4. P. E. Rouse, J. Chem. Phys. 21 (7), 1272 (1953). 10.1063/1.1699180
5. P. G. D. Gennes, J. Phys. (Paris) 42 (5), 735 (1981). 10.1051/jphys:01981004205073500
6. S. C. Glotzer and W. Paul, Ann. Rev. Mater. Res. 32 (1), 401 (2002). 10.1146/annurev.matsci.32.010802.112213
7. K. Kremer and G. S. Grest, J. Chem. Phys. 92 (8), 5057 (1990). 10.1063/1.458541
8. R. M. Füchslin, H. Fellermann, A. Eriksson, and H.-J. Ziock, J. Chem. Phys. 130 (21), 214102 (2009). 10.1063/1.3143976
9. P. J. Hoogerbrugge and J. M. V. A. Koelman, Europhys. Lett. 19 (3), 155 (1992). 10.1209/0295-5075/19/3/001
10. W. Pan, B. Caswell, and G. E. Karniadakis, Langmuir 26 (1), 133-142 (2010). 10.1021/la902205x
11. S. Jamali, M. Yamanoi, and J. Maia, Soft Matter 9 (5), 1506-1515 (2013). 10.1039/c2sm27104d
12. R. D. Groot and T. J. Madden, J. Chem. Phys. 108 (20), 8713 (1998). 10.1063/1.476300
13. H.-J. Qian, Z.-Y. Lu, L.-J. Chen, Z.-S. Li, and C.-C. Sun, Macromolecules 38 (4), 1395 (2005). 10.1021/ma0478658
14. V. Symeonidis and G. E. Karniadakis, J. Comput. Phys. 218, 82-101 (2006). 10.1016/j.jcp.2006.01.043
15. P. Nikunen, I. Vattulainen, and M. Karttunen, Phys. Rev. E 75 (3), 036713 (2007). 10.1103/PhysRevE.75.036713
16. R. D. Groot and K. L. Rabone, Biophys. J. 81, 725-736 (2001). 10.1016/S0006-3495(01)75737-2
17. W. Dzwinel and D. A. Yuen, Int. J. Mod. Phys. C 11 (1), 1 (2000). 10.1142/S012918310000002X
18. M. Yamanoi, O. Pozo, and J. M. Maia, J. Chem. Phys. 135, 044904 (2011). 10.1063/1.3615504
19. J. T. Padding and W. J. Briels, J. Chem. Phys. 115 (6), 2846 (2001). 10.1063/1.1385162
20. J. T. Padding and W. J. Briels, J. Chem. Phys. 117 (2), 925 (2002). 10.1063/1.1481859
21. J. T. Padding and W. J. Briels, J. Chem. Phys. 118 (22), 10276 (2003). 10.1063/1.1572459
22. S. Kumar and R. G. Larson, J. Chem. Phys. 114 (15), 6937 (2001). 10.1063/1.1358860
23. R. D. Groot and P. B. Warren, J. Chem. Phys. 107 (11), 4423-4435 (1997). 10.1063/1.474784
24. P. Nikunen, M. Karttunen, and I. Vattulainen, Comput. Phys. Commun. 153, 407-423 (2003). 10.1016/S0010-4655(03)00202-9
25. V. Symeonidis, G. E. Karniadakis, and B. Caswell, J. Chem. Phys. 125 (18), 184902 (2006). 10.1063/1.2360274
26. P. Espanol and P. Warren, Europhys. Lett. 30 (4), 191-196 (1995). 10.1209/0295-5075/30/4/001
27. G. Besold, I. Vattulainen, M. Karttunen, and J. M. Polson, Phys. Rev. E 62 (6), R7611-R7614 (2000). 10.1103/PhysRevE.62.R7611
28. T. Shardlow, SIAM J. Sci. Comput. 24 (4), 1267-1282 (2003). 10.1137/S1064827501392879
29. C. P. Lowe, Europhys. Lett. 47 (2), 145-151 (1999). 10.1209/epl/i1999- 00365-x
30. H. C. Andersen, J. Chem. Phys. 72 (4), 2384 (1980). 10.1063/1.439486
31. E. A. Koopman and C. P. Lowe, J. Chem. Phys. 124 (20), 204103 (2006). 10.1063/1.2198824
32. H.-J. Qian, C. C. Liew, and F. Müller-Plathe, Phys. Chem. Chem. Phys. 11 (12), 1962-1969 (2009). 10.1039/b817584e
33. L.-J. Chen, Z.-Y. Lu, H. J. Qian, Z.-S. Li, and C.-C. Sun, J. Chem. Phys. 122 (10), 104907 (2005). 10.1063/1.1860351
34. A. F. Jakobsen, O. G. Mouritsen, and G. Besold, J. Chem. Phys. 122 (20), 204901 (2005). 10.1063/1.1900725
35. S. Shanbhag and R. G. Larson, Macromolecules 39, 2413-2417 (2006). 10.1021/ma052317v
36. F. Goujon, P. Malfreyt, and D. J. Tildesley, J. Chem. Phys. 129, 034902 (2008). 10.1063/1.2954022
37. T. Soddemann, B. Dunweg, and K. Kremer, Phys. Rev. E 68, 046702 (2003). 10.1103/PhysRevE.68.046702
38. X. Fan, N. Phan-Thien, S. Chen, X. Wu, and T. Y. Ng, Phys. Fluids 18 (6), 063102 (2006). 10.1063/1.2206595
39. A. E. Likhtman, S. K. Sukumaran, and J. Ramirez, Macromolecules 40, 6748-6757 (2007). 10.1021/ma070843b
40. H. Watanabe, Prog. Polym. Sci. 24 (9), 1253-1403 (1999). 10.1016/S0079-6700(99)00029-5
41. T. Schweizer, Rheol. Acta 41 (4), 337 (2002). 10.1007/s00397-002-0232-4