Pseudopotential study of the thermodynamic characteristics of supercooled Mg and Zn melts

K. P. Zol'nikov, S. G. Psakh'e, A. I. Landa, V. E. Panin

Division for Materials Science

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Abstract

We use a pseudopotential and thermodynamic perturbation theory to study the thermodynamic characteristics of metallic Mg and Zn melts. A system of solid spheres is selected, to be the ground state. Our calculations of the melting temperature, entropy, and volume are in good agreement with experiment, and the calculated results are insensitive to the choice of pseudopotential. As the temperature is lowered the diameter of the solid spheres and the packing density increase. In addition, there is a marked decrease in the melt's self diffusion coefficient, reflecting the possibility of forming an amorphous structure.

Original language	English
Pages (from-to)	270-274
Number of pages	5
Journal	Soviet Physics Journal
Volume	27
Issue number	4
DOIs	https://doi.org/10.1007/BF00893705
Publication status	Published - Apr 1984

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ASJC Scopus subject areas

Physics and Astronomy(all)
Engineering(all)

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Zol'nikov, K. P., Psakh'e, S. G., Landa, A. I., & Panin, V. E. (1984). Pseudopotential study of the thermodynamic characteristics of supercooled Mg and Zn melts. Soviet Physics Journal, 27(4), 270-274. https://doi.org/10.1007/BF00893705

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AU - Panin, V. E.

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N2 - We use a pseudopotential and thermodynamic perturbation theory to study the thermodynamic characteristics of metallic Mg and Zn melts. A system of solid spheres is selected, to be the ground state. Our calculations of the melting temperature, entropy, and volume are in good agreement with experiment, and the calculated results are insensitive to the choice of pseudopotential. As the temperature is lowered the diameter of the solid spheres and the packing density increase. In addition, there is a marked decrease in the melt's self diffusion coefficient, reflecting the possibility of forming an amorphous structure.

AB - We use a pseudopotential and thermodynamic perturbation theory to study the thermodynamic characteristics of metallic Mg and Zn melts. A system of solid spheres is selected, to be the ground state. Our calculations of the melting temperature, entropy, and volume are in good agreement with experiment, and the calculated results are insensitive to the choice of pseudopotential. As the temperature is lowered the diameter of the solid spheres and the packing density increase. In addition, there is a marked decrease in the melt's self diffusion coefficient, reflecting the possibility of forming an amorphous structure.

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10.1007/BF00893705