Dyamics of glassy polymer melts in confined geometry: A Monte Carlo simulation

Journal de Physique I

Volumn 6, Issue 10, 1996, Pages 1271-1294

  Baschnagel, Jörg ^a,b   Binder, Kurt ^a  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b INSTITUT CHARLES SADRON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; DIFFUSION IN LIQUIDS; FILMS; FLUID DYNAMICS; FREEZING; INTERFACES (MATERIALS); INTERFACIAL ENERGY; MONOMERS; MONTE CARLO METHODS; RELAXATION PROCESSES; THERMAL EFFECTS;

ABSOLUTE FREEZING; BULK GYRATION RADIUS; MONOMER RELAXATION RATES; POLYMER DYNAMICS; POLYMER MELT; RELAXATION TIMES; STRUCTURAL RELAXATION FUNCTIONS; SUPERCOOLED MELT; SUPERCOOLING;

POLYMERIC GLASS;

EID: 0030270872     PISSN: 11554304     EISSN: None     Source Type: Journal    
DOI: 10.1051/jp1:1996137     Document Type: Article

References (70)

1. T.-W. Chou Ed., Materials Science and Technology, Vol. 13 (VCH, Weinheim, I993).
2. Gandhi M.V. and Thompson B.S., Smart M^lteria;s and Structures (Chapman & Hall, London, 1992).
3. Fleer G.J., Cohen Stuart M.A., Scheutjens J.M.H.M., Cosgrove T. and Vincent B., Polymers at Interfaces (Chapman & Hall, London, 1993).
4. I.C. Sanchez Ed., Physics of Polymer Surfaces and Interfaces (Butterworth-Heineruann, Boston, 1992).
5. Yoon D.Y., Vacatello M. and Smith C.D., in "Monte Carlo and Molecular Dynamics Simulations in Polymer Science:'. K. Binder Ed. (Oxford University Press, New York, 1995).
6. Bitsanis I.A. and Hadziioannou G., J. Chem. Phys. 92 (1990) 3827.
7. Milchev A. and Binder K., Macromolecules 29 (1996) 343.
8. Binder K., Milchev A. arid Baschnagel J., Simulation Studies of the Dynamics of Polymers at Interfaces, Ann. Rev. Mater. Sci., in press.
9. Winkler R.G., Matsuda T. and Yoon D.Y., J. Chem. Phys. 98 (1993) 729.
10. Winkler R.G., Gerstmair A., Reineker P., Matsuda T. and Yoon D.Y., Int. J. Quant. Chem. 52 (1994) 437.
11. Semenov A.N., Bonet-Avalos J., Johner A. and Joanny J.F., Macromolecules 29 (1996) 2179.
12. Mansfield K.F. and Theodorou DA., Macromolecules 22 (1989) 3143.
13. Semenov A.N. and Joanny J.F., J. Phys. II France 5 (1995) 859.
14. Lai P.-Y., J. Chem. Phys. 103 (1995) 5742;
15. Lai P.-Y.. Phys. Rev. E 49 (1994) 5420.
16. ShafFer J.S. and Chakraborty A.K., Macromolecules 26 (1993) 1120.
17. Matsnda T., Smith G.D., Winkler R.G. and Yoon D.Y., Macromolecules 28 (1995) 165.
18. Vacatello M., Macrornol. Theory Simul. 3 (1994) 325.
19. Kumar S.K., Vacatello M. and Yoon D.Y., Macromolecules 23 (1990) 2189.
20. Dickman R., J. Chem. Phys. 96 (1992) 1516.
21. Yethiraj A., J. Chem. Phys. 101 (1994) 2489.
22. Sen S., Cohen J.M., McCoy J.D. and Curro J.G., J. Chem. Phys. 101 (1994) 9010.
23. Phan S., Kierlik E., Rosinberg M.L., Yethiraj A. and Dickruan R., J. Chtm. Phys. 102 (1995) 2141.
24. Yethiraj A., Kumar S., Hariharan A. and Schweizer K.S., J. Chem. Phys. 100 (1994) 4691.
25. Bitsanis I.A. and ten Brinke G., J. Chem. Phys. 99 (1993) 3100.
26. ten Brinke G., Ausserre D. and Hadziioannou G.; J. Chem. Phys. 89 (1988) 4374.
27. Pakula T., J. Chem. Phys. 95 (1991) 4685.
28. Wang J.-S. and Binder K., J. Phys. I France 1 (1991) 1583.
29. Madden W.G., J. Chem. Phys. 89 (1988) 3934;
30. ibid. 87 (1987) 1405.
31. Brazhnik P.K., Freed K. and Tang H., J. Chem. Phys. 101 (1994) 9143.
32. Woodward C.E. and Yethiraj A., J. Chem. Phys. 100 (1994) 3181.
33. Walley K.P., Schweizer K.S.. Peanasky J., Cai L. and Granick S., J. Chem. Phys. 100 (1994) 3361.
34. Kierlik E. and Rosinberg M.L., J. Chem. Phys. 100 (1994) 1716.
35. Theodorou D.N., Macromolecules 21 (1988) 1391;
36. ibid. 21 (1988) 1400.
37. Keddie J.L. and Jones R.A.L., Glass Transition Behaviour in Ultra-Thin Polystyrene Films, to appear in Israel J. Chem.
38. Keddie J.L., Jones R.A.L. and Gory R.A., Europhys. Lett. 27 (1994) 59.
39. Wallace W.E., van Zanten J.H. and Wu W.L., Phys. Rev. E 52 (1995) R3329.
40. Keddle J.L., Jones R.A.L. and Cory R.A., Faraday Discuss. 98 (1994) 219.
41. Wu W.L., van Zanten J.H. and Orts W.J., Macromolecules 28 (1995) 771.
42. van Zanten J.H., Wallace W.E. and Wu W.L., Phys. Rev. E 53 (1996) R2053.
43. Forrest J.A., Dalnoki-Veress K., Stevens J.R. ar.d Butcher J.R., submitted to Phys. Rev. Lett.
44. Paul W. and Baschnagel J., in "Monte Carlo and Molecular Dynamics Simulations in Polymer Science", K. Binder Ed. (Oxford University Press, New York, 1995).
45. Baschnagel J. and Binder K., Macromolecules 28 (1995) 6808.
46. Baschnagel J. and Binder K., Macromol. Theory Simul. 106 (1996) 41.
47. Wittinaim H.-P. and Kremer K.. Comp. Phys. Comm. 71 (1992) 343;
48. Comp. Phys. Cornm. 61 (1990) 309;
49. Deutsch H.-P. and Binder K., J. Chem. Phys. 94 (1991) 2294;
50. Carmesiri I. and Kremer K., Macromolecules 21 (1988) 2819.
51. Kremer K. and Binder K., Comp. Phys. Rep. 7 (1988) 259.
52. Sokal A.D., in "Monte Carlo and Molecular Dynamics Simulations in Polymer Science", K. Binder Ed. (Oxford University Press, New York, 1995).
53. Deutsch H.-P. and Dickman R., J. Chem. Phys. 93 (1990) 8983.
54. Baschnagel J. and Binder K., Physica A 204 (1994) 47.
55. S. Yip and P. Nelson Eds., Transport Theory and Statistical Physics, Vol. 24 (Marcel Dekker, New York, 1995).
56. Paul W., Binaer K., Heermann D.W. and Krerner K., J. Phys. II France I (1991) 37.
57. B, where ε is the parameter of the bond vector energy (see text and [48] for further explanations). All length and time scales are measured in units of lattice constants and of Monte Carlo steps, respectively. For the acceptance rate the smallest temperature was T = 0.18.
58. Kremer K. and Grest G.S., in "Monte Carlo and Molecular Dynamics Simulations in Polymer Science, K. Binder Ed. (Oxford University Press, New York, 1995).
59. Doi M. and Edwards S.F., Theory of Polymer Dynamics (Clarendon Press, Oxford, 1986).
60. Götze W., in "Liquids, Freezing and the Glass Transition, J.P. Hansen, D. Levesque and J. Zinn-Justin Eds. (North-Holland, Amsterdam, 1990).
61. Bässler H., Phys. Rev. Lett. 58 (1987) 767.
62. Angell C.A., J. Ncn-Cryst. Solids 131-133 (1991) 13.
63. Wolfgardt M., Baschnagel J. and Binder K., J. Phys. II France 5 (1995) 1035.
64. Paul W.. AIP Conf. Proc. 256 (1992) 145.
65. A.J. Dianoux, W. Petry and D. Richter Eds., Dynamics of Disordered Materials II (North-Holland, Amsterdam, 1993).
66. K.L. Ngai Ed., 2nd International Discussion Meeting on Relaxations in Complex Systems, J. Non-Crysi. Solids 172-174 (1994).
67. Stickel F., Fischer E.W. and Riehen R., J. Chem. Phys. 102 (1995) 1;
68. ibid. 104 (1996)1043.
69. Mansfield K.F. and Theodoren! D.N., Macromolecules 24 (1991) 6283.
70. Fehr T. and Löwen H., Phys. Rev. E 52 (1996) 4016.