Molecular dynamics simulations of structural formation of a single polymer chain: Bond-orientational order and conformational defects

Journal of Chemical Physics

Volumn 107, Issue 2, 1997, Pages 613-622

  Fujiwara, Susumu ^a   Sato, Tetsuya ^a  

^a NATIONAL INSTITUTE FOR FUSION SCIENCE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; DEFECTS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE;

BOND ORIENTATIONAL ORDER; CONFORMATIONAL DEFECTS;

POLYMERS;

EID: 0031559385     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474421     Document Type: Article

References (28)

1. T. Yamamoto, J. Chem. Phys. 82, 3790 (1985); 89, 2356 (1988).
2. T. Yamamoto, J. Chem. Phys. 82, 3790 (1985); 89, 2356 (1988).
3. J. P. Ryckaert and M. L. Klein, J. Chem. Phys. 85, 1613 (1986).
4. J. P. Ryckaert, M. L. Klein, and I. R. McDonald, Phys. Rev. Lett. 58, 698 (1987).
5. J. P. Ryckaert, I. R. McDonald, and M. L. Klein, Mol. Phys. 67, 957 (1989).
6. K. Esselink, P. A. J. Hilbers, and B. W. H. van Beest, J. Chem. Phys. 101, 9033 (1990).
7. T. Yamamoto, M. Hikosaka, and N. Takahashi, Macromolecules 27, 1466 (1994).
8. T. Yamamoto, J. Chem. Soc. Faraday Trans. 91, 2559 (1995).
9. S. N. Kreitmeier, G. L. Liang, D. W. Noid, and B. Wunderlich, J. Chem. Soc. Faraday Trans. 91, 2601 (1995).
10. D. W. Noid, B. G. Sumpter, and B. Wunderlich, Macromolecules 23, 664 (1990); 24, 4148 (1991).
11. D. W. Noid, B. G. Sumpter, and B. Wunderlich, Macromolecules 23, 664 (1990); 24, 4148 (1991).
12. B. G. Sumpter, D. W. Noid, B. Wunderlich, and S. Z. D. Cheng, Macromolecules 23, 4671 (1990).
13. B. G. Sumpter, D. W. Noid, and B. Wunderlich, J. Chem. Phys. 93, 6875 (1990).
14. B. G. Sumpter, D. W. Noid, and B. Wunderlich, Macromolecules 25, 7247 (1992).
15. T. Yamamoto and Y. Kimikawa, J. Chem. Phys. 97, 5163 (1992); 99, 6126 (1993).
16. T. Yamamoto and Y. Kimikawa, J. Chem. Phys. 97, 5163 (1992); 99, 6126 (1993).
17. T. A. Kavassalis and P. R. Sundararajan, Macromolecules 26, 4144 (1993).
18. P. R. Sundararajan and T. A. Kavassalis, J. Chem. Soc. Faraday Trans. 91, 2541 (1995).
19. M. Hikosaka, S. Rastogi, A. Keller, and H. Kawabata, J. Macromol. Sci. Phys. B 31, 87 (1992).
20. A. Keller, M. Hikosaka, S. Rastogi, A. Toda, P. J. Barham, and G. Goldbeck-Wood, J. Mater. Sci. 29, 2579 (1994).
21. A. Keller, Rep. Prog. Phys. 31, 623 (1968).
22. B. Wunderlich, Macromolecular Physics (Academic, New York, 1976), Vol. 1.
23. P. J. Phillips, Rep. Prog. Phys. 53, 549 (1990).
24. S. L. Mayo, B. D. Olafson, and W. A. Goddard III, J. Phys. Chem. 94, 8897 (1990).
25. L. Verlet, Phys. Rev. 159, 98 (1967).
26. S. Nosé, Mol. Phys. 52, 255 (1984).
27. S. Nosé, J. Chem. Phys. 81, 511 (1984).
28. W. G. Hoover, Phys. Rev. A 31, 1695 (1985).