Investigation of melting at the uranium gamma phase by quantum and classical molecular dynamics methods
KP Migdal and PA Pokatashkin and AV Yanilkin, HIGH TEMPERATURE, 55, 711-717 (2017).
Melting at the high-temperature uranium gamma phase at pressures up to 0.8 TPa and temperatures up to 2 x 10(4) K is studied using quantum and classical molecular dynamics methods. The position of the equilibrium melting curve is 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 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 theoretical model.
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