Abstract
Two coarse-grained models for polymer chains in dense melts near the glass transition are investigated: the bond fluctuation lattice model, where long bonds are energetically favored, is studied by dynamic Monte Carlo simulation, and an off-lattice bead-spring model with Lennard-Jones forces between the beads is treated by Molecular Dynamics. We compare the time-dependence of the mean square displacements of both models, and show that they become very similar on mesoscopic scales (i.e., displacements larger than a bond length). The slowing down of motions near the glass transition is discussed in terms of the mode coupling theory and other concepts.
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References
Adam, G., Gibbs, J.H. (1965): J. Chem. Phys. 43, 139
Baschnagel, J., Binder, K., Wittmann, H.-P. (1993): J. Phys.: Condens. Matter 5, 1597
Baschnagel, J. (1994): Phys. Rev. B 49, 135
Baschnagel, J., et al.: to be published
Baschnagel, J., Binder, K. (1994): Physica A 204, 47
Baschnagel, J., Fuchs, M. (1995): J. Phys.: Condens. Matter 7, 6761
Bennemann, C., Paul, W., Binder, K., Dünweg, B. (1998): Phys. Rev. E 57, 843
Bennemann, C., et al.: to be published
Binder, K. (ed.) (1995): Monte Carlo and Molecular Dynamics Simulations in Polymer Science (Oxford University Press, New York)
Binder, K., Baschnagel, J., Böhmer, S., Paul, W. (1998): Phil. Mag. B 77, 591
de Gennes, P.G. (1979): Scaling Concepts in Polymer Physics, (Cornell University Press, Ithaca)
Dianoux, A.J., Petry, W., Richter, D. (eds.) (1993): Dynamics of Disordered Materials II (North Holland, Amsterdam)
Doi, M., Edwards, S.F. (1986): The Theory of Polymer Dynamics, (Clarendon Press, Oxford)
Donth, E. (1982): J. Non-Cryst. Solids 53, 325
Frick, B., Farago, B., Richter, D. (1990): Phys. Rev. Lett. 64, 2921
Fuchs, M, Götze, W., Hildebrand, S., Latz, A. (1992): J. Phys.: Condens. Matter 4, 7709
Fulcher, G.S. (1925): J. Am. Ceram. Soc. 8, 339
Gibbs, J.H., Di Marzio, E. (1958): J. Chem. Phys. 28, 373, 807
Götze, W., Sjögren, L. (1992): Rep. Progr. Phys. 55, 241
Hoover, W.G. (1985): Phys. Rev. A 31, 1695
Hoover, W.G. (1986): Phys. Rev. A 34, 2499
Jäckle, J. (1986): Rep. Progr. Phys. 49, 171
Kob, W. (1997): in Experimental and Theoretical Approaches to Supercooled Liquids: Advances and Novel Applications, ed. by J.T. Fourkas, D. Kivelson, U. Mohanty, K.A. Nelson (American Chem. Soc., Washington)
Kohlrausch, R. (1847): Ann. Phys. (Leipzig) 12, 393
Kopf, A., Dünweg, B., Paul, W. (1997): J. Chem. Phys. 107, 6945
Kremer, K., Grest, G.S. (1990): J. Chem. Phys. 92, 5057
McKenna, G.B. (1989): in Comprehensive Polymer Science, Vol. 2, ed. by C. Booth and C. Price (Pergamon, New York 1998)
Melchionna, S., Ciccotti, G., Holian, B. (1993): Mol. Phys. 78, 533
Ngai, K.L. (ed.) (1994): Proc. 2 nd International Discussion Meeting on Relaxations in Complex Systems, J. Non-Cryst. Solids 172–174
Nosé, S. (1991): Progr. Theor. Phys. Suppl. 103, 1
Okun, K., Wolfgardt, M, Baschnagel, J., Binder, K. (1997): Macromol. 30, 3075
Paul, W., Baschnagel, J. (1995): in Monte Carlo and Molecular Dynamics Simulations in Polymer Science, ed. by K. Binder (Oxford University Press, New York)
Rehkopf, M., Rostiashvili, V.G., Vilgis, T.A. (1997): J. Phys. II (France) 7, 1469
Richter, D., Frick, B., Farago, B. (1988): Phys. Rev. Lett. 61, 2465
Rigby, D., Roe, R.-J. (1987): J. Chem. Phys. 87, 7285
Rouse, P.E. (1953): J. Chem. Phys. 21, 1272
Schilling, R., Scheidsteger, T. (1997): Phys. Rev. E 56, 2932
Sokolov, A.P., Rössler, E., Kisliuk, A., Quitmann, D. (1993): Phys. Rev. Lett. 71, 2062
Stickel, F., Fischer, E.W., Richert, R. (1995): J. Chem. Phys. 102, 6251
Vogel, H. (1921): Phys. Z. 22, 642 (1921)
Williams, G., Watts, D.C. (1980): Trans. Faraday Soc. 66, 80
Wittmann, H.-P., Kremer, K., Binder, K. (1992): J. Chem. Phys. 96, 6291
Wolfgardt, M., Baschnagel, J., Paul, W., Binder, K. (1996): Phys. Rev. E 54, 1535
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Binder, K., Bennemann, C., Baschnagel, J., Paul, W. (1999). Anomalous diffusion of polymers in supercooled melts near the glass transition. In: Pękalski, A., Sznajd-Weron, K. (eds) Anomalous Diffusion From Basics to Applications. Lecture Notes in Physics, vol 519. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0106837
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DOI: https://doi.org/10.1007/BFb0106837
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