Abstract
Extensive molecular dynamics simulations have been performed on clusters of argon atoms to investigate the microscopic mechanism for the melting transition. The steepest-descent quench technique has been employed along the trajectories at energies in the transition region and in the liquid portion of the caloric curves. The potential minima most frequently accessed at the various energies are thus obtained. The coexistence and magic number phenomena are explained in terms of the geometrical structures accessed and the mechanisms for the motions between structures. Pentagonal structures dominate in the melting of these small clusters.
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References
L. Briant and J.J. Burton, J. Chem. Phys. 63, 2045 (1975).
R.D. Etters and J.B. Kaelberer, Phys. Rev. A 11, 1068 (1975).
J.B. Kaelberer and R.D. Etters, J. Chem. Phys. 66, 3233 (1977).
R.D. Etters and J.B. Kaelberer, J. Chem. Phys. 66, 5112 (1977).
D.J. McGinty, J. Chem. Phys. 58, 4733 (1973).
W.D. Kristensen, E.J. Jensen, and R.M.J. Cotterill, J. Chem. Phys. 60, 4161 (1974).
N. Quirke and P. Sheng, Chem. Phys. Lett. 110, 63 (1984).
M.R. Hoare and P. Pal, Adv. Phys. 20, 161 (1971).
see, for example P.J. Steinhardt, D.R. Nelson, and M. Ronchetti, Phys. Rev. Lett. 18, 1297 (1981).
J. Jellinek, T.L. Beck, and R.S. Berry, J. Chem. Phys. 84, 2783 (1986).
T.L. Beck, J. Jellinek, and R.S. Berry, (in preparation).
R.S. Berry, T.L. Beck, H.L. Davis, and J. Jellinek, in The Physics and Chemistry ofSmall Clusters, (Plenum, New York).
F. Amar and R.S. Berry, 1986, J. Chem. Phys. (in press).
F.H. Stillinger and T.A. Weber, Phys. Rev. A 25, 978 (1982).
G. Natanson, F. Amar, and R.S. Berry, J. Chem. Phys. 78, 399 (1983).
R.S. Berry, J. Jellinek, and G. Natanson, Phys. Rev. A. 30, 919 (1984).
T.L. Beck and R.S. Berry, (in preparation).
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© 1987 Plenum Press, New York
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Beck, T.L., Berry, R.S. (1987). Steepest-Descent Quenches and the Melting of Microclusters. In: Jena, P., Rao, B.K., Khanna, S.N. (eds) Physics and Chemistry of Small Clusters. Springer, Boston, MA. https://doi.org/10.1007/978-1-4757-0357-3_32
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DOI: https://doi.org/10.1007/978-1-4757-0357-3_32
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