Crystal Growth of the Lennard-Jones ( 100 ) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics

@inproceedings{Briels1997CrystalGO,
  title={Crystal Growth of the Lennard-Jones ( 100 ) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics},
  author={W. J. Briels and Harald L Tepper},
  year={1997}
}
On the basis of Onsager’s hypothesis a new method is presented to calculate growth rate consta various crystal faces from the fluctuations of interfaces during NVT simulations. The method is applied to the (100) face of a Lennard-Jones crystal grown from the melt. The results are in perfect agree with those obtained by means of NPT nonequilibrium simulations. The new method allows for much better statistics at the cost of much less computation time. The use of Onsager’s hypothesis to d the… CONTINUE READING

References

Publications referenced by this paper.
Showing 1-7 of 7 references

Briels, Theory of Simple Liquids(Uppsala University, Uppsala, 1993) [lecture notes

  • W J.
  • 1993

J

  • E. Burke, J. Q. Broughton, G. H. Gilmer
  • Chem Phys.89, 1030
  • 1988
1 Excerpt

Eerden in Morphology of Crystals,edited by I

  • P. Bennema, J. P. van der
  • Sunagawa (Terrapub,
  • 1987
2 Excerpts

W

  • H.J.C. Berendsen, J.P.M. Postma
  • F. van Gunstere A. DiNola, and R. J. Haak, J…
  • 1984

Phy Rev

  • J. Q. Broughton, G. H. Gilmer, K. A. Jackson
  • Lett.49, 1496
  • 1982
1 Excerpt

Phys

  • W. J. Briels, J. Chem
  • 73, 1850
  • 1980

Mol

  • J. J. Nicholas, K. E. Gubbins, W. B. Street, D. J Tildesley
  • Phys.37, 1429
  • 1979

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