Hostname: page-component-78c5997874-94fs2 Total loading time: 0 Render date: 2024-11-15T01:59:34.924Z Has data issue: false hasContentIssue false
  • English
  • Français

Multiscale Problems in Polymer Science: Simulation Approaches

Published online by Cambridge University Press:  31 January 2011

K. Kremer  and
F. Müller-Plathe
Get access

Extract

Polymer materials range from industrial commodities, such as plastic bags, to high-tech polymers used for optical applications, and all the way to biological systems, where the most prominent example is DNA. They can be crystalline, amorphous (glasses, melts, gels, rubber), or in solution. Polymers in the glassy state are standard materials for many applications (yogurt cups, compact discs, housings for technical equipment, etc.).

Type
Research Article
Information
MRS Bulletin , Volume 26 , Issue 3: Materials Research by Means of Multiscale Computer Simulation , March 2001 , pp. 205 - 210
Copyright
Copyright © Materials Research Society 2001

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1Binder, K. and Cicotti, G.Monte Carlo and Molecular Dynamics of Condensed Matter Systems, Vol. 1 (Oxford University Press, Oxford, 1996).Google Scholar
2Baschnagel, J.Binder, K.Doruker, P.Gusev, A.A., Hahn, O.Kremer, K.Mattice, W.L., Müller-Plathe, F., Murat, M.Paul, W.Santos, S.Suter, U.W., and Tries, V. in Advances in Polymer Science: Viscoelasticity, Atomistic Models, Statistical Chemistry, Vol.152 (Springer-Verlag, 2000) p.41.CrossRefGoogle Scholar
3Binder, K. ed., Monte Carlo and Molecular Dynamics Simulations in Polymer Science (Oxford University Press, Oxford, 1995).CrossRefGoogle Scholar
4Monnerie, L. and Suter, U.W., eds., in Advances in Polymer Science, Vol. 116 (Springer, Heidelberg, 1994).Google Scholar
5Bates, F.S. and Fredrickson, G.H., Phys. Today 52 (2) (1996) p. 32; G.H., Fredrickson and F.S., Bates, Annu. Rev. Mater. Sci. 26 (1996) p.501.CrossRefGoogle Scholar
6Martonak, R.Paul, W. and Binder, K.J.Chem. Phys. 106 (1997) p.8918.CrossRefGoogle Scholar
7Tschöp, W., Kremer, K.Batoulis, J.Bürger, T., and Hahn, O.Acta Polym. 49 (1998) pp. 61 and 75.3.0.CO;2-V>CrossRefGoogle Scholar
8Eilhard, J.Zirkel, A.Tschöp, W., Hahn, O.Kremer, K.Schärpf, O., Richter, D. and Buchenau, U.J. Chem. Phys. 110 (3) (1999) p. 1819.CrossRefGoogle Scholar
9Schöppe, G. and Heermann, D.W., Phys. Rev. E 59 (1999) p.636.CrossRefGoogle Scholar
10Meyer, H.Biermann, O.Faller, R.Reith, D. and Müller-Plathe, F., J. Chem. Phys. 113 (2000) p.6264.CrossRefGoogle Scholar
11Paul, W. and Pistoor, N.Macromolecules 27 (1994) p.1249.CrossRefGoogle Scholar
12Tries, V.Paul, W.Baschnagel, J. and Binder, K.J.Chem. Phys. 106 (1997) p.738.CrossRefGoogle Scholar
13Doruker, P. and Mattice, W.L., Macromolecules 30 (1997) p.5520.CrossRefGoogle Scholar
14Haire, K.H., Carver, T.J., and Windle, A.H., Comput. Theor. Polym. Sci. 11 (2000) p.17.CrossRefGoogle Scholar
15Faller, R.Müller-Plathe, F., and Heuer, A.Macromolecules 33 (2000) p.6602.CrossRefGoogle Scholar
16Schmitz, H. and Müller-Plathe, F., J. Chem. Phys. 112 (2000) p.1040.CrossRefGoogle Scholar
17Kremer, K. and Binder, K.Comp. Phys. Rep. 7 (1988) p.259.CrossRefGoogle Scholar
18Reith, D.Meyer, H. and Müller-Plathe, F., Macromolecules (2001) in press.Google Scholar
19Press, W.H., Flannery, B.P., Teukolsky, S.A., and Vetterling, W.T., Numerical Recipes (Cambridge University Press, Cambridge, 1986).Google Scholar
20Faller, R.Schmitz, H.Biermann, O. and Müller-Plathe, F., J. Comput. Chem. 20 (1999) p.1009.3.0.CO;2-C>CrossRefGoogle Scholar
21Müller-Plathe, F., Comput. Phys. Commun. 78 (1993) p.77.CrossRefGoogle Scholar
22Hahn, O.Mooney, D.A., Müller-Plathe, F., and Kremer, K.J.Chem. Phys. 111 (1999) p.6061.CrossRefGoogle Scholar
23Schmid, F.J.Phys.: Condens. Matter 10 (1998) p.8105.Google Scholar
24Altevogt, P.Evers, O.A., Fraaije, J.G.E.M.Maurits, N.M., and B.van, A.C.Vlimmeren, THEOCHEM J.Mol. Struct. 463 (1999) p.139.CrossRefGoogle Scholar
25Murat, M. and Kremer, K.J.Chem. Phys. 108 (1998) p.4340.CrossRefGoogle Scholar
26Enrich, F. and Maass, P. “Soft Ellipsoid Model for Gaussian Polymer Chains,” preprint, Los Alamos National Laboratories Preprint Server, http://lib-www.lanl.gov/libinfo/preprints.htm, cond-mat/0008425 (accessed February 2001).Google Scholar
27Bolhuis, P.G., Louis, A.A., Hansen, J.P., and Meijer, E.J., “Accurate Effective Pair Potentials for Polymer Solutions,” preprint, National Laboratories Preprint Server, http://lib-www.lanl.gov/libinfo/preprints.htm, cond-mat/0009093 (ac-cesssed February 2001).CrossRefGoogle Scholar
28Hoogerbrugge, P.J. and Koelman, J.M.V.A.Europhys. Lett. 19 (1992) p.155; J.M.V.A., Koelman and P.J., Hoogerbrugge, Europhys. Lett. 21 (1993) p.369.CrossRefGoogle Scholar
29Español, P., Phys. Rev. E 57 (1998) p.2930.CrossRefGoogle Scholar
30Turner, M.J., Clough, R.W., Martin, H.C., and Topp, L.J., J.Aeron. Sci. 23 (1956) p.805.CrossRefGoogle Scholar
31Gusev, A.A., J. Mech. Phys. Solids 45 (1997) p. 1449; A.A., Gusev, P.J., Hine, and I.M., Ward, Compos. Sci. Technol. 60 (2000) p.535.CrossRefGoogle Scholar