Abstract

The role of basic interactions (i.e. electrondashelectron, iondashion and electrondashion) on the energetics of undercooled ( T ⪡ T m) liquid metallic system has been investigated within the firsts-principle approach to pseudopotential perturbation theory and the Gibbs-Bogoliaubov variational method. Its application is made to Na and T-dependence of internal energies, interatomic pair potentials, entropies and heat capacities are obtained in the region T ⪡ T m. Various entropic contributions in the undercooled region decrease much faster than the enthalpic terms. Heat capacities calculated both from entropy and enthalpy terms increase with decreasing T in the undercooled region, and exhibit anomalous behaviour at a temperature which is interpreted as glass transition temperature.

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