Abstract
The nature of phase transformations in small alklai-halide clusters is investigated using molecular dynamics simulations. On the basis of systematic studies of clusters of variable sizes, it is concluded that the kinetics and dynamics of the transformations depend on system size. For small clusters, distinct, diffusionless, isomerization occurs. Intermediate size clusters exhibit hierarchical kinetics with isomerizations preceding the onset of diffusion and eventual melting. True sharp melting transition and solid-liquid coexistence is found only for relatively large clusters. This sequence of physical processes versus size can be modeled as a gradual opening of the accessible phase-space and the coalescence of time scales distinguishing intra-well and inter-well dynamics.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
Similar content being viewed by others
References
T. L. Hill, Thermodynamics of Small Systems, (Benjamin, N.Y., 1963).
G. Natanson, F. Amar and R. S. Berry, J. Chem. Phys. 78, 399 (1983).
J. Jellinek, T. L. Beck and R. S. Berry, J. Chem. Phys. 84, 2783 (1986); see also references to earlier work here and in ref. 2.
R. W. Hockney and J. W. Eastwood, Computer Simulation Using Particles, (McGraw-Hill, N.Y., 1981), pp. 488–498.
P. R. Couchman and W. A. Jessor, Nature 269, 481 (1977).
P. R. Couchman and C. L. Ryan, Phil. Mag. A37, 369 (1978);
R. Balian and C. Bloch, Ann. Phys. N.Y. 60, 401 (1970).
For recent reviews see: F. F. Abraham, J. Vac. Sci. Technol. B2, 534 (1984);
U. Landman et al. in Mat. Res. Soc. Proc. 63, 273 (1985).
This is reminiscent of the picture advanced by F. M. Stillinyer and T. A. Weber for a liquid, see: Kinam A5, 159 (1981);
This is reminiscent of the picture advanced by F. M. Stillinyer and T. A. Weber for a liquid, see: Phys. Rev. A25, 978 (1972).
T. P. Martin, Phys. Rep. 95, 167 (1983),
with the parameters given by F. G. Fumi and M. P. Tosi, J. Phys. Chem. Solids 25, 31, 45 (1964).
D. A. McQuarrie, Statistical Mechanics, (Harper and Row, N. Y., 1976), Chap. 21, 22.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1987 Plenum Press, New York
About this chapter
Cite this chapter
Luo, J., Landman, U., Jortner, J. (1987). Isomerization and Melting of Small Alkali-Halide Clusters. 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_30
Download citation
DOI: https://doi.org/10.1007/978-1-4757-0357-3_30
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4757-0359-7
Online ISBN: 978-1-4757-0357-3
eBook Packages: Springer Book Archive