Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
   
 
 
 
Previous Article
Nucleation and growth of AgCl clusters in a sodium borate glass: Numerical analysis and SAXS results
By solving a set of differential rate equations the precipitation of AgCl clusters in the glass system 30Na2O–70B2O3/AgCl has been modeled. Using a parallel algorithm on a CRAY T3E it was possibl...
Next Article
Simulation of heteropolymer collapse with an explicit solvent in two dimensions
Molecular dynamics simulations are used to study the equilibrium properties and collapse dynamics of a heteropolymer in the presence of an explicit solvent in two dimensions. The system consists of a ...

Hyperparallel tempering Monte Carlo simulation of polymeric systems

J. Chem. Phys. 113, 1276 (2000); doi:10.1063/1.481905

Issue Date: 15 July 2000

You are not logged in to this journal. Log in

Qiliang Yan and Juan J. de Pablo
Department of Chemical Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706
A new hyperparallel tempering Monte Carlo method is proposed for simulation of complex fluids, including polymeric systems. The method is based on a combination of the expanded grand canonical ensemble (or simple tempering) and the multidimensional parallel tempering techniques. Its usefulness is established by applying it to polymer solutions and blends with large molecular weights. Our numerical results for long molecules indicate that the new algorithm can be significantly more efficient than previously available techniques. ©2000 American Institute of Physics.
History: Received 3 March 2000; accepted 19 April 2000
Permalink: http://link.aip.org/link/?JCPSA6/113/1276/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (117 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 61.25.Hq
    Structure of solids and liquids; crystallography Studies of specific liquid structures Macromolecular and polymer solutions; polymer melts; swelling
  • 61.20.Ja
    Structure of solids and liquids; crystallography Structure of liquids Computer simulation of liquid structure
  • YEAR: 2000

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (26)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. B. Berg and T. Neuhaus, Phys. Lett. B 267, 249 (1991).
  2. B. Berg and T. Neuhaus, Phys. Rev. Lett. 68, 9 (1992).
  3. B. Hessebo and R. B. Stinchcombe, Phys. Rev. Lett. 74, 2151 (1995).
  4. A. P. Lyubartsev, A. A. Martinovski, S. V. Shevkunov, and P. N. Vorontsov-Velyaminov, J. Chem. Phys. 86, 1776 (1992).
  5. E. Marinari and G. Parisi, Europhys. Lett. 19, 451 (1992).
  6. D. D. Frantz, D. L. Freeman, and J. D. Doll, J. Chem. Phys. 93, 2769 (1990).
  7. W. Ortiz, A. Perlloni, and G. E. Lopez, Chem. Phys. Lett. 298, 66 (1998).
  8. C. J. Geyer and E. A. Thompson, J. Am. Stat. Assoc. 90, 909 (1995).
  9. M. C. Tesi, E. J. Janse van Rensburg, E. Orlandini, and S. G. Whittington, J. Stat. Phys. 82, 155 (1996).
  10. U. H. E. Hansmann, Chem. Phys. Lett. 281, 140 (1997).
  11. M. G. Wu and M. W. Deem, Mol. Phys. 97, 559 (1999).
  12. F. A. Escobedo and J. J. de Pablo, J. Chem. Phys. 103, 2703 (1995).
  13. F. A. Escobedo and J. J. de Pablo, J. Chem. Phys. 105, 4391 (1996).
  14. J. J. de Pablo, M. Laso, J. I. Siepmann, and U. W. Suter, Mol. Phys. 80, 55 (1993).
  15. D. Frenkel, G. C. A. M. Mooij, and B. Smit, J. Phys.: Condens. Matter 4, 3053 (1992).
  16. Q. Yan and J. J. de Pablo, J. Chem. Phys. 111, 9509 (1999).
  17. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 23, 2635 (1988).
  18. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 63, 1195 (1989).
  19. A. M. Ferrenberg and R. H. Swendsen, Comput. Phys. 3, 101 (1989).
  20. A. Z. Panagiotopoulos and V. Wong, Macromolecules 31, 912 (1998).
  21. A. Z. Panagiotopoulos, Mol. Phys. 61, 813 (1987).
  22. T. Dobashi, M. Nakata, and M. Kaneko, J. Chem. Phys. 72, 6685 (1980).
  23. Q. Yan and J. J. de Pablo, J. Chem. Phys. (submitted).
  24. H. Frauenkron and P. Grassberger, J. Chem. Phys. 107, 9599 (1997).
  25. J. Dudowicz and K. F. Freed, Macromolecules 24, 5074 (1991).
  26. D. G. Gromov and J. J. de Pablo, J. Chem. Phys. 109, 10042 (1998).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics