Structural properties of undercooled liquid sodium and caesium
- 37 Downloads
Extensive theoretical results for the temperature dependence of the static and dynamical structure of undercooled alkali metals using Na and Cs as examples are presented. The static structural properties are obtained from the HMSA integral equations using pair potentials derived from an accurate non-local pscudopotential. The dynamical properties obtained from viscoelastic theory are compared with experiments and the results of memory function formalism. The study indicates that collective density excitations are more dominant in the undercooled region than at their melting points, and that the dynamical properties of Na and Cs exhibit subtle differences in their gross features.
KeywordsUndercooled alkali metals sodium caesium temperature dependence structural properties dynamical properties
PACS Nos61.20 63.90
Unable to display preview. Download preview PDF.
- J Lu and J A Szpunar,Philos. Mag. A75, 1057 (1997)Google Scholar
- J P Hansen and I R McDonald,Theory of simple liquids (Academic: London, 1986)Google Scholar
- G N Arkady, V S Vadim, L S Alexander, M Y Renam and R Y Timur,Physica B228, 312 (1996)Google Scholar
- U Balucani and M Zoppi,Dynamics of the liquid state (Oxford: Clarendon, 1994)Google Scholar
- J D Weeks, D Chandler and H C Andersen,J. Chem. Phys. 54, 4931 (1970)Google Scholar
- W van der Lugt and B P Alblas,Handbook of thermodynamic and transport properties of liquid metals edited by R W Ohse (New York, McGraw Hill, 1985)Google Scholar
- [39a]M J Huijbin and W van der Lugt,Acta Crystallogr. A35, 431 (1979)Google Scholar
- J M Haile,Molecular dynamics simulation: Elementary methods (New York, John Wiley & Sons Inc., 1992)Google Scholar