Gyration tensor based analysis of the shapes of polymer chains in an attractive spherical cage

Journal of Chemical Physics

Volumn 138, Issue 5, 2013, Pages

  Arkin, Handan ^a,b   Janke, Wolfhard ^a  

^a UNIVERSITY OF LEIPZIG   (Germany)

^b ANKARA UNIVERSITY   (Turkey)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; POLYMER CHAINS; RANDOM-COIL STRUCTURES; SHAPE CHARACTERISTICS; SHAPE DESCRIPTORS; SPHERE MODEL; SPHERICAL SHAPE;

DESORPTION; TENSORS;

SPHERES;

POLYMER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; MOLECULAR DYNAMICS; MONTE CARLO METHOD;

MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; MONTE CARLO METHOD; POLYMERS;

MLCS; MLOWN;

EID: 84873642793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4788616     Document Type: Article

References (46)

1. S. Walheim, E. Schaffer, J. Mlynek, and U. Steiner, Science 283, 520 (1999). 10.1126/science.283.5401.520
2. S. Brown, Nat. Biotechnol. 15, 269 (1997). 10.1038/nbt0397-269
3. R. Braun, M. Sarikaya, and K. Schulten, J. Biomater. Sci., Polym. Ed. 13, 747 (2002). 10.1163/156856202760197384
4. S. R. Whaley, D. S. English, E. L. Hu, P. F. Barbara, and A. M. Belcher, Nature (London) 405, 665 (2000). 10.1038/35015043
5. K. Goede, P. Busch, and M. Grundmann, Nano Lett. 4, 2115 (2004). 10.1021/nl048829p
6. M. Bachmann, K. Goede, A. G. Beck-Sickinger, M. Grundmann, A. Irbäck, and W. Janke, Angew. Chem., Int. Ed. 49, 9530 (2010). 10.1002/anie.201000984
7. E. Nakata, T. Nagase, S. Shinkai, and I. Hamachi, J. Am. Chem. Soc. 126, 490 (2004). 10.1021/ja035631i
8. R. F. Service, Science 270, 230 (1995). 10.1126/science.270.5234.230
9. E. Eisenriegler, K. Kremer, and K. Binder, J. Chem. Phys. 77, 6296 (1982). 10.1063/1.443835
10. Z. Usatenko, J. Stat. Mech.: Theory Exp. 2006, P03009. 10.1088/1742-5468/2006/03/P03009
11. J. Forsman and C. E. Woodward, Phys. Rev. Lett. 94, 118301 (2005). 10.1103/PhysRevLett.94.118301
12. M. Möddel, M. Bachmann, and W. Janke, J. Phys. Chem. B 113, 3314 (2009). 10.1021/jp808124v
13. M. Möddel, W. Janke, and M. Bachmann, Phys. Chem. Chem. Phys. 12, 11548 (2010). 10.1039/c002862b
14. M. Möddel, W. Janke, and M. Bachmann, Macromolecules 44, 9013 (2011). 10.1021/ma201307c
15. A. Milchev and K. Binder, J. Chem. Phys. 117, 6852 (2002). 10.1063/1.1505022
16. I. Gurevitch and S. Srebnik, Chem. Phys. Lett. 444, 96 (2007); 10.1016/j.cplett.2007.06.112
17. I. Gurevitch and S. Srebnik, J. Chem. Phys. 128, 144901 (2008). 10.1063/1.2894842
18. T. Vogel and M. Bachmann, Phys. Rev. Lett. 104, 198302 (2010). 10.1103/PhysRevLett.104.198302
19. E. Eisenriegler, Polymers Near Surfaces (World Scientific, Singapore, 1993).
20. G. J. Fleer, M. A. Cohen Stuart, J. M. H. M. Scheutjens, T. Cosgrove, and B. Vincent, Polymers at Interfaces (Chapman and Hall, London, 1993).
21. H. W. Diehl and M. Shpot, Nucl. Phys. B 528, 595 (1998). 10.1016/S0550-3213(98)00489-1
22. A. Sikorski, Macromol. Theory Simul. 11, 359 (2002). 10.1002/1521- 3919(20020301)11:3<359::AID-MATS359>3.0.CO;2-B
23. M. Bachmann and W. Janke, Phys. Rev. Lett. 95, 058102 (2005). 10.1103/PhysRevLett.95.058102
24. M. Bachmann and W. Janke, Phys. Rev. E 73, 041802 (2006). 10.1103/PhysRevE.73.041802
25. M. Bachmann and W. Janke, Phys. Rev. E 73, 020901 (R) (2006). 10.1103/PhysRevE.73.020901
26. K. Binder, J. Baschnagel, M. Müller, W. Paul, and F. Rampf, Macromol. Symp. 237, 128 (2006). 10.1002/masy.200650514
27. J. Luettmer-Strathmann, F. Rampf, W. Paul, and K. Binder, J. Chem. Phys. 128, 064903 (2008). 10.1063/1.2837459
28. S. Karalus, W. Janke, and M. Bachmann, Phys. Rev. E 84, 031803 (2011). 10.1103/PhysRevE.84.031803
29. H. Arkin and W. Janke, Phys. Rev. E 85, 051802 (2012). 10.1103/PhysRevE.85.051802
30. H. Arkin and W. Janke, J. Phys. Chem. B 116, 10379 (2012). 10.1021/jp304844k
31. F. H. Stillinger, T. Head-Gordon, and C. L. Hirshfeld, Phys. Rev. E 48, 1469 (1993); 10.1103/PhysRevE.48.1469
32. F. H. Stillinger and T. Head-Gordon, Phys. Rev. E 52, 2872 (1995). 10.1103/PhysRevE.52.2872
33. A. Irbäck, C. Peterson, F. Potthast, and O. Sommelius, J. Chem. Phys. 107, 273 (1997). 10.1063/1.474357
34. A. Irbäck, C. Peterson, and F. Potthast, Phys. Rev. E 55, 860 (1997). 10.1103/PhysRevE.55.860
35. B. A. Berg, and T. Neuhaus, Phys. Lett. B 267, 249 (1991); 10.1016/0370-2693(91)91256-U
36. B. A. Berg, and T. Neuhaus, Phys. Rev. Lett. 68, 9 (1992); 10.1103/PhysRevLett.68.9
37. W. Janke, Int. J. Mod. Phys. C 3, 1137 (1992). 10.1142/S0129183192000762
38. B. A. Berg, " Introduction to multicanonical Monte Carlo simulations.," in Fields Institute Communications, Monte Carlo Methods, Vol. 26, edited by, Neal Madras, (Co-published by the AMS and Fields Institute, 2000), p. 1.
39. W. Janke, Physica A 254, 164 (1998). 10.1016/S0378-4371(98)00014-4
40. K. Solc and W. H. Stockmayer, J. Chem. Phys. 54, 2756 (1971). 10.1063/1.1675241
41. D. N. Theodorou and U. W. Suter, Macromolecules 18, 1206 (1985). 10.1021/ma00148a028
42. V. Blavatska and W. Janke, J. Chem. Phys. 133, 184903 (2010). 10.1063/1.3501368
43. J. Vymtal and J. Vondrásk, J. Phys. Chem. A 115, 11455 (2011). 10.1021/jp2065612
44. V. Blavatska and W. Janke, J. Chem. Phys. 136, 104907 (2012). 10.1063/1.3691102
45. B. Efron, The Jackknife, the Bootstrap and Other Resampling Plans (Society for Industrial and Applied Mathematics (SIAM), Philadelphia, 1982).
46. W. Janke, " Monte Carlo methods in classical statistical physics.," in Computational Many-Particle Physics, Lecture Notes in Physics Vol. 739, edited by, H. Fehske, R. Schneider, and, A. Weiße, (Springer, Berlin, 2008), pp. 79-140.