Skip to main content
SpringerLink
Log in

“Thought-experiments” by molecular dynamics

  • Articles
  • Published:
Journal of Statistical Physics Aims and scope Submit manuscript

Abstract

A method for studying the dynamical properties of liquids by molecular dynamics simulation is described. Its basis is the measurement of the response to a weak applied field of appropriate character. The explicit form of the mechanical perturbation is worked out in several cases, and details are given of the numerical techniques used in implementing the method.

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

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. R. Kubo,J. Phys. Soc. Jpn. 12:570 (1957).

    Google Scholar 

  2. J. M. Luttinger,Phys. Rev. 135:A1505 (1964).

    Google Scholar 

  3. J. L. Jackson and P. Mazur,Physica 30:2295 (1964).

    Google Scholar 

  4. R. Zwanzig,Ann. Rev. Phys. Chem. 16:67 (1965).

    Google Scholar 

  5. G. Ciccotti and G. Jacucci,Phys. Rev. Lett. 35:789 (1975).

    Google Scholar 

  6. G. Ciccotti, G. Jacucci, and I. R. McDonald,Phys. Rev. A 13:426 (1976).

    Google Scholar 

  7. G. Ciccotti, G. Jacucci, and I. R. McDonald,J. Phys. C: Solid State 11:L509 (1978).

    Google Scholar 

  8. R. Kubo,Rep. Prog. Phys. 29:255 (1966).

    Google Scholar 

  9. E. Helfand,Phys. Rev. 119:1 (1960).

    Google Scholar 

  10. J. R. D. Copley and S. W. Lovesey,Rep. Prog. Phys. 38:461 (1975).

    Google Scholar 

  11. J. P. Hansen and I. R. McDonald,Theory of Simple Liquids (Academic Press, London, 1976).

    Google Scholar 

  12. A. Michels, H. Wijker, and Hk. Wijker,Physica 15:627 (1949).

    Google Scholar 

  13. E. M. Gosling, I. R. McDonald, and K. Singer,Mol. Phys. 26:1475 (1973).

    Google Scholar 

  14. D. Levesque, L. Verlet, and J. Kürkijarvi,Phys. Rev. A 7:1690 (1973).

    Google Scholar 

  15. G. Jacucci, I. R. McDonald, and A. Rahman,Phys. Rev. A 13:1581 (1976).

    Google Scholar 

  16. L. Verlet,Phys. Rev. 163:201 (1968).

    Google Scholar 

  17. W. T. Ashurst and W. G. Hoover,Phys. Rev. Lett. 31:206 (1973).

    Google Scholar 

  18. W. T. Ashurst and W. G. Hoover, inTheoretical Chemistry: Advances and Perspectives, H. Eyring and D. Henderson, eds. (Academic Press, New York, 1975), Vol. 1.

    Google Scholar 

  19. D. J. Evans,Mol. Phys., to appear.

  20. J. P. Hansen and I. R. McDonald,Phys. Rev. A 11:2111 (1975).

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Istituto di Fisica “G. Marconi,”, Università di Roma, Rome, Italy

    G. Ciccotti

  2. Dipartimento di Matematica e Fisica, Libera Università di Trento, Povo, Trento, Italy

    G. Jacucci

  3. Department of Chemistry, Royal Holloway College, Egham, Surrey, England

    I. R. McDonald

Authors
  1. G. Ciccotti
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. G. Jacucci
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. I. R. McDonald
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Ciccotti, G., Jacucci, G. & McDonald, I.R. “Thought-experiments” by molecular dynamics. J Stat Phys 21, 1–22 (1979). https://doi.org/10.1007/BF01011477

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF01011477

Key words

Search

Navigation