Bond orientation decay and stress relaxation in a model polymer melt

Macromolecules

Volumn 29, Issue 18, 1996, Pages 6048-6055

  Gao, Jianping ^a   Weiner, Jerome H ^b  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

^b Brown University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; ATOMS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTRON ENERGY LEVELS; POLYMERS; RELAXATION PROCESSES; STRESS RELAXATION; STRESSES;

ATOMIC VIRIAL STRESS FORMULA; BOND ORIENTATION DECAY; CHAIN LENGTH; ENTROPIC SPRING STRESS FORMULA; FREELY JOINTED CHAIN MODEL; POLYMER MELT;

MOLECULAR DYNAMICS;

EID: 0030211806     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma9602177     Document Type: Article

References (41)

1. de Gennes, P.-G. J. Chem. Phys. 1971, 52, 572.
2. Doi, M.; Edwards, S. F. J. Chem. Soc., Faraday Trans. 2 1978, 74, 1789, 1802, 1818.
3. Doi M.; Edwards, S. F. The Theory of Polymer Dynamics; Clarendon Press: Oxford, UK, 1986.
4. Richter, D.; Butera, R.; Fetters, L. J.; Huang, J. S.; Farago, B.; Ewen, B. Macromolecules 1992, 25, 6156.
5. Ewen, B.; Maschke, U.; Richter, D.; Farago, B. Acta Polym. 1994, 45, 143.
6. Richter, D.; Willner, L.; Zirkel, A.; Farago, B.; Fetters, L. J.; Huang, J. Macromolecules 1994, 27, 7437.
7. Perkins, T. T.; Smith, D. E.; Chu, S. Science 1994, 264, 819.
8. Kas, J.; Strey, H.; Sackmann, E. Nature 1994, 368, 226.
9. Kolinski, A.; Skolnick, J.; Yaris, R. J. Chem. Phys. 1987, 86, 1567, 7164, 7174.
10. Kremer, K.; Grest, G. J. Chem. Phys. 1990, 92, 5057.
11. Kolinski, A.; Skolnick, J. J. Phys. Chem. 1993, 97, 3450.
12. Ngai, K. L.; Peng, S. L.; Skolnick, J. Macromolecules 1992, 25, 2184.
13. Shaffer, J. S. J. Chem. Phys. 1995, 103, 761.
14. Smith, S. W.; Hall, C. K.; Freeman, B. D. Phys. Rev. Lett. 1995, 75, 1316.
15. Smith, S. W.; Hall, C. K.; Freeman, B. D. J. Chem. Phys. 1996, 104, 5616.
16. Lodge, T. P.; Rotstein, N.; Prager, S. Adv. Chem. Phys. 1990, 79, 1.
17. Gao, J.; Weiner, J. H. Macromolecules 1992, 25, 1348, 3462.
18. Gao, J.; Weiner, J. H. J. Chem. Phys. 1992, 97, 8698.
19. Gao, J.; Weiner, J. H. J. Chem. Phys. 1995, 103, 1614, 1621.
20. Gao, J.; Weiner, J. H. Macromolecules 1989, 22, 979.
21. Fixman, M. J. Chem. Phys. 1991, 95, 1410.
22. Takeuchi, H.; Roe, R.-J. J. Chem. Phys. 1991, 94, 7446, 7458.
23. Gao, J.; Weiner, J. H. J. Chem. Phys. 1993, 98, 8256.
24. Gao, J. J. Chem. Phys. 1995, 102, 1074.
25. β(t), are determined from the molecular dynamics of the full interacting system and not through the dynamics of the Rouse model.
26. See, for example, ref 3, p 220, or ref 16, p 24.
27. R = 5).
28. Palmer R. G.; Stein, D. L.; Abrahams, E.; Anderson, P. W. Phys. Rev. Lett. 1984, 53, 958.
29. Gao, J. G.; Weiner, J. H. Science 1994, 266, 748.
30. See, for example: Flory, P. J. Statistical Mechanics of Chain Molecules; Interscience: New York, 1969; Chapter IX. Mattice, W. L.; Suter, U. W. Conformational Theory of Large Molecules; J Wiley: New York, 1994; Chapter XIV.
31. See, for example: Flory, P. J. Statistical Mechanics of Chain Molecules; Interscience: New York, 1969; Chapter IX. Mattice, W. L.; Suter, U. W. Conformational Theory of Large Molecules; J Wiley: New York, 1994; Chapter XIV.
32. Gao, J.; Weiner, J. H. Macromolecules 1994, 27, 1201.
33. Gao, J.; Weiner, J. H. J. Chem. Phys. 1989, 90, 6744.
34. Osaki, K.; Okamoto, H.; Inoue, T.; Hwang, E.-J. Macromolecules 1995, 28, 3625.
35. Okamoto, H.; Inoue, T.; Osaki, K. J. Polym. Sci., Part B: Polym. Phys. 1995, 33, 1409.
36. Rouse, P. E. J. Chem. Phys. 1953, 21, 1272.
37. Bueche, F. J. Chem. Phys. 1954, 22, 603.
38. Reference 3, p 244
39. Ferry, J. D. Viscoelastic Properties of Polymers, 3rd ed.; Wiley: New York, 1980.
40. See, for example, reference 27, Chapter 4.
41. Antonietti, M.; Pakula, T.; Bremser, W. Macromolecules 1995, 28, 4227.