Skip to main content

Coexistence of Two Phases: Long-Run Molecular Dynamics Computer Simulations

  • Chapter
  • 420 Accesses

Part of the book series: NATO ASI Series ((NSSB,volume 174))

Abstract

In traditional DM experiments, the number of atoms in a volume is fixed and the total energy conserved as the dynamics of the systems evolves in time. The time average of any property is an approximate measure of the microcanonical ensemble average of that property MD (EVN).

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

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. H.C. Andersen, J. Chem. Phys. 72, 2384 ((1980)

    Article  ADS  Google Scholar 

  2. F.F. Abraham and S. Koch, Phys. Rev. B 29, 2824 (1984)

    Article  ADS  Google Scholar 

  3. S. Toxvaerd, Phys. Rev. B 29, 2821 (1984)

    Article  ADS  Google Scholar 

  4. F. Lado, J. Chem. Phys. 75, 5461 (1981)

    Article  ADS  Google Scholar 

  5. S. Nose, Mol. Phys. 52, 255 (1984)

    Article  ADS  Google Scholar 

  6. J.M. Haile and S. Gupta, J. Chem. Phys. 79, 3067 (1983)

    Article  ADS  Google Scholar 

  7. W.G. Hoover, Phys. Rev. A 31, 1695 (1985)

    Article  ADS  Google Scholar 

  8. J.J. Morales, S. Toxvaerd and L.F. Rull, Phys. Rev. A, 34, 1495 (1986)

    Article  ADS  Google Scholar 

  9. J.A. Barker, D. Henderson and F.F. Abraham, Physica 106A, 226 (1981)

    ADS  Google Scholar 

  10. E.B. Smith and B.H. Wells-, Mol. Phys. 53, 701 (1984)

    Article  ADS  Google Scholar 

  11. W.B. Street, D.J. Tildesley and G. Saville,. Mol. Phys. 35, 639 (1978)

    Article  ADS  Google Scholar 

  12. G.W. Gear., “Numerical initial value problems in ordinary differential equations”. Chap. 11. Prentice Hall, Englewood Cliffs. NJ (1971)

    MATH  Google Scholar 

  13. L. Verlet, Phys. Rev. 159, 98 (1967)

    Article  ADS  Google Scholar 

  14. S. Toxvaerd., J. Comp. Phys. 47, 444 (1982)

    Article  ADS  MATH  Google Scholar 

  15. S. Toxvaerd, J. Comp. Phys. 52, 214 (1983)

    Article  ADS  Google Scholar 

  16. J.L. Lebowitz, J.K. Percus and L. Verlet, Phys. Rev. 153, 250 (1967)

    Article  ADS  Google Scholar 

  17. S. Toxvaerd, Phys. Rev. A 24, 2735 (1981)

    Article  ADS  Google Scholar 

  18. L.F. Rull, J.J. Morales and F. Cuadros, Phys. Rev. B 32, 6050 (1985)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 1988 Plenum Press, New York

About this chapter

Cite this chapter

Morales, J.J., Cuadros, F., Hull, L.F. (1988). Coexistence of Two Phases: Long-Run Molecular Dynamics Computer Simulations. In: Velarde, M.G. (eds) Physicochemical Hydrodynamics. NATO ASI Series, vol 174. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0707-5_58

Download citation

  • DOI: https://doi.org/10.1007/978-1-4613-0707-5_58

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4612-8042-2

  • Online ISBN: 978-1-4613-0707-5

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics