THE CONSTRUCTION OF TEMPERATURE-DEPENDENT POTENTIAL
OF INTERPARTICLE INTERACTION FOR URANIUM DIOXIDE

Nagornov Yuriy Sergeevich, Candidate of physical and mathematical sciences, associate professor, head of laboratory, Ulyanovsk State University, nagornovys@ulsu.ru
Makhmud-Akhunov Ruslan Yusupovich, Junior researcher, Ulyanovsk State University, nagornovys@ulsu.ru
Tikhonchev Mikhail Yurievich, Candidate of physical and mathematical sciences, head of laboratory, Ulyanovsk State University, tikhonchev@sv.ulsu.ru
Kostishko Boris Mikhaylovich, Doctor of physical and mathematical sciences, professor, rector of Ulyanovsk State University, contact@ulsu.ru
Golovanov Viktor Nikolaevich, Doctor of physical and mathematical sciences, professor, vice rector for scientific affairs and information technologies, Ulyanovsk State University, golovanovvn@ulsu.ru
Svetukhin Vyacheslav Viktorovich, Doctor of physical and mathematical sciences, professor, director of the research technological institute under Ulyanovsk State University, slava@sv.uven.ru

538.95

The new approach was applied to the construction of the atom interaction potential for molecular dynamics modeling of thermal changes of properties of uranium dioxide. The potential parameters were selected in the form of slowly varying temperature dependences in accordance with Ehrenfest theorems and average poten-tial. This method was able to calculate of the temperature dependences of constant lattice, enthalpy and heat capacities up to 3150K with hi accuracy. These results are confirmed perspective of presented approach.

molecular dynamics, uranium dioxide, interaction potential.