Simulation of meltig nanocrystals uranium dioxide

In this paper simulated with molecular dynamics the phase transitions of nanoscale crystals of uranium dioxide. Simulation is carried out on the basis of pair potentials with parameters depending on the temperature. For nanocrystals in size range 2.2 - 4.4 nm was calculated the phase transition temperature. It was shown a strong dependence of the temperature of the linear size of the studied crystal.