ملخص
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.
اللغة الأصلية | English |
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الصفحات (من إلى) | 133-141 |
عدد الصفحات | 9 |
دورية | Physica B: Condensed Matter |
مستوى الصوت | 240 |
رقم الإصدار | 1-2 |
المعرِّفات الرقمية للأشياء | |
حالة النشر | Published - سبتمبر 1 1997 |
ASJC Scopus subject areas
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