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DF: Dielektrische Festkörper

DF 6: Gläser I

DF 6.5: Hauptvortrag

Mittwoch, 29. März 2000, 16:30–17:10, H11

Thermodynamic properties of silicate glasses: Comparison of calculations and experiment — •Nikolay Zotov — Bayerisches Geoinstitut, D-95440 Bayreuth

Calculations of the vibrational density of states (VDOS) of amorphous silica and sodium silicate glasses using computer models generated by molecular dynamics and reverse Monte Carlo methods are presented. Assuming an entirely vibrational origin, the specific heat Cv and Cp, the entropy S and the Helmholtz free energy F are calculated from standard thermodynamic relations between F, Cv, Cp and S and the model VDOS. The results are compared with experimental data and the origin of the discrepancies observed are discussed.