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JOURNALS // Teplofizika vysokikh temperatur // Archive

TVT, 2017 Volume 55, Issue 5, Pages 725–731 (Mi tvt10069)

This article is cited in 5 papers

Thermophysical Properties of Materials

Investigation of melting at the uranium $\gamma$ phase by quantum and classical molecular dynamics methods

K. P. Migdal, P. A. Pokatashkin, A. V. Yanilkin

Dukhov Research Institute of Automaticss, Moscow

Abstract: Melting at the high-temperature uranium $\gamma$ phase at pressures up to $0.8$ TPa and temperatures up to $2 \times 10^4$ K has been studied using quantum and classical molecular dynamics methods. The position of the equilibrium melting curve has been estimated based on quantum calculations according to the Lindemann criterion. An interatomic-interaction potential is developed for classical molecular dynamics simulation of the properties of uranium in the $\gamma$ phase and liquid state. The melting curve is calculated using the modified $\rm Z$ method. The curve is in agreement with the known experimental data at pressures below $0.1$ TPa and the found estimate. The calculated melting curve is also compared with the Simon–Glatzel equation.

UDC: 538.9

Received: 30.12.2015
Accepted: 14.06.2016

DOI: 10.7868/S0040364417050131


 English version:
High Temperature, 2017, 55:5, 711–717

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