Efficient hybrid algorithm for the dynamic creation of wormlike chains in solutions, brushes, melts and glasses

Computer Physics Communications

Volumn 118, Issue 2, 1999, Pages 278-298

  Kröger, Martin ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MONOMERS; MONTE CARLO METHODS; POLYMER BLENDS; POLYMERIZATION; RELAXATION PROCESSES; TEMPERATURE CONTROL;

INTERMOLECULAR DISTANCE; POLYMER CHAINS; SEMIFLEXIBLE POLYMERS;

ALGORITHMS;

EID: 0033131646     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(98)00160-X     Document Type: Article

References (21)

1. K. Binder, G. Ciccotti, Eds, Monte Carlo and molecular dynamics of condensed matter systems, IPS Conf. Proc. 49, Bologna (1996).
2. W.G. Hoover, Physica A 194 (1993) 450-461.
3. K. Kremer, G.S. Grest, Phys. World 3 (1995) 39-44; K. Kremer, in: Computer simulation in chemical physics, M.P. Allen, D.J. Tildesley, eds., NATO ASI C 397 (1993).
4. K. Kremer, G.S. Grest, Phys. World 3 (1995) 39-44; K. Kremer, in: Computer simulation in chemical physics, M.P. Allen, D.J. Tildesley, eds., NATO ASI C 397 (1993).
5. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
6. D.W. Heermann, Computer Simulation Methods in Theoretical Physics (Springer, Berlin, 1990).
7. H.C. Öttinger, Stochastic Processes in Polymeric Fluids (Springer, Berlin, 1996).
8. K. Kremer, G.S. Grest, J. Chem. Phys. 92 (1990) 5057-5086
9. M. Kröger, W. Loose, S. Hess, J. Rheol. 37 (1995) 1057-1080; M. Kröger, C. Luap, R. Muller, Macromolecules 30 (1997) 526.
10. M. Kröger, W. Loose, S. Hess, J. Rheol. 37 (1995) 1057-1080; M. Kröger, C. Luap, R. Muller, Macromolecules 30 (1997) 526.
11. J. Gao, J.H. Weiner, J. Chem. Phys. 97 (1992) 8698-8704.
12. P.G. de Gennes, Scaling Concepts in Polymer Physics (Cornell, Ithaca, NY, 1979).
13. M. Doi, S.F. Edwards, The Theory of Polymer Dynamics (Clarendon, Oxford, 1986).
14. R.B. Bird, O. Hassager, R.C. Armstrong, C.F. Curtiss, Dynamics of Polymeric Liquids, Vols. 1+2 (Wiley, New York, 1987).
15. S. Hess, J. Non-Newtonian Fluid Mech. 23 (1987) 305-319.
16. R. Horst, P.M. Pardalos, N.V. Thoai, Introduction to Global Optimization (Kluwer, Dublin, 1995).
17. G.S. Grest, B. Dünweg, K. Kremer, Comput. Phys. Commun. 55 (1989) 269-285.
18. J.D. Weeks, D. Chandler, H.C. Andersen, J. Chem. Phys. 54 (1971) 5237-5247.
19. S. Hess, M. Kröger, H. Voigt, Thermo-mechanical properties of the WCA-Lennard-Jones model system in its fluid and solid states, Physica A 250 (1998) 58-82.
20. H.R. Warner, Ind. Eng. Chem. Fundamentals 11 (1972) 379-387.
21. A. Uhlherr, private communication, manuscript in preparation.