Abstract
First-principles theoretical results are reported for the specific heats and closely related thermodynamic quantities, required in the determination of the characterristics of the supercooled metallic liquids, for Al, Rb and Ca 0.7Mg 0.3 metals. Of these results, those for the specific heats are fully analyzed and discussed by considering computer-simulation results on the atomic motion in the supercooled-liquid region. It now appears that the specific heat at constant pressure behaves as a monotonically increasing function of temperature in decreasing from the melting temperature to the glass-transition temperature for those supercooled metallic liquids that have high glass-forming ability.
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