Energetics of undercooled liquid metals

R. N. Singh, R. P. Jaju

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The role of basic interactions (i.e. electron-electron, ion-ion and electron-ion) on the energetics of undercooled (T ≪ Tm) liquid metallic system has been investigated within the first-principle approach of 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 ≪ Tm. Various entropie 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.

Original languageEnglish
Pages (from-to)133-141
Number of pages9
JournalPhysica B: Condensed Matter
Volume240
Issue number1-2
Publication statusPublished - Sep 1 1997

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Keywords

  • Thermodynamic properties
  • Undercooled liquid metals

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

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