Skip to main content
SpringerLink
Log in
Book cover

The European Physical Journal D pp 205–209Cite as

Self-diffusion in clusters

An analytical model and its verification by molecular dynamics simulations

  • Conference paper

  • 182 Accesses

Abstract

In this paper we propose a new analytical model for diffusion in a condensed system that describes the process in terms of the dynamics of the system on the potential energy surface (PES). Theoretical predictions are compared with the results of molecular dynamics (MD) simulations for the Lennard—Jones (LJ) clusters and show good agreement with them.

This is a preview of subscription content, log in via an institution.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. R. Czerminskii, R. Elber; J. Chem. Phys. 92, 5580 (1990)

    Article  ADS  Google Scholar 

  2. R.S. Berry, R. Breitengraser-Kunz: Phys. Rev. Lett. 74, 3951 (1995)

    Article  ADS  Google Scholar 

  3. K.D. Ball et al.: Science 271, 963 (1996)

    Google Scholar 

  4. J.C. Schön: Ber. Bunsenges. Phys. Chem. 100, 1388 (1996)

    Article  Google Scholar 

  5. J.P.K. Doye, D.J. Wales: J. Chem. Phys, 105, 8428 (1996)

    Article  ADS  Google Scholar 

  6. O.M. Becker, M. Karplus:.1. Chem. Phys. 106, 1495 (1997)

    Article  ADS  Google Scholar 

  7. A. Heuer: Phys. Rev. Lett. 78, 4051 (1997)

    Google Scholar 

  8. A.F. Voter: Phys, Rev. Lett. 78, 3908 (1997)

    Article  ADS  Google Scholar 

  9. N. Mousseau, G.T. Barkenia: Phys. Rev. E 57, 2419 (1998)

    Article  ADS  Google Scholar 

  10. C.A. Croxton: Liquid State Physics - A Statistical Mechanics Introduction ( Cambridge University Press, Cambridge 1974 )

    Book  Google Scholar 

  11. R. Zwanzig: J. Chem. Phys. 79, 4507 (1983)

    Article  ADS  Google Scholar 

  12. J. Jellinek, T.L. Beck, R.S. Berry: J. Chem. Phys. 84, 2783 (1986)

    Article  ADS  Google Scholar 

  13. J.E. Adams, R.M. Stratt: J, Chem. Phys. 93, 1332 (1990)

    Article  ADS  Google Scholar 

  14. T.L. Beck, T.L. Marchioro: J. Chem. Phys. 93, 1347 (1990)

    Article  ADS  Google Scholar 

  15. D. Frenkel, G.H. Wegdam, J. van der Eisken: J. Chem. Phys. 57, 2691 (1972); we are grateful to an anonymous referee for drawing our attention to this paper

    Google Scholar 

  16. S.F. Chekmarev, S.V. Envoy: Chem, Phys. Lett. 287, 719 (1998)

    Article  ADS  Google Scholar 

  17. J. Uppenbrink, D.J. Wales: J. Chem, Soc. Faraday Trans, 87, 215 (1991)

    Article  Google Scholar 

  18. F.C. Amax, R.S. Berry: J. Chem. Phys, 85, 5943 (1986)

    Article  ADS  Google Scholar 

  19. C. Seko, K. Takatsuka: J. Chem. Phys. 104, 8613 (1996)

    Article  ADS  Google Scholar 

  20. M.A. Miller, D.J. Wales: J. Chem. Phys. 107, 8568 (1997)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics, Novosibirsk State University, 630090, Novosibirsk, Russia

    S. V. Krivov & S. F. Chekmarev

  2. Institute of Thermophysics, 630090, Novosibirsk, Russia

    S. F. Chekmarev

Authors
  1. S. V. Krivov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. S. F. Chekmarev
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Institute of Experimental Physics, EPF Lausanne, Switzerland

    A. Châtelain  & J.-M. Bonard  & 

Rights and permissions

Reprints and permissions

Copyright information

© 1999 Springer-Verlag Italia

About this paper

Cite this paper

Krivov, S.V., Chekmarev, S.F. (1999). Self-diffusion in clusters. In: Châtelain, A., Bonard, JM. (eds) The European Physical Journal D. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-88188-6_40

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-88188-6_40

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-88190-9

  • Online ISBN: 978-3-642-88188-6

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation