Trial interatomic interaction potential for beryllium

Автор: Prokofiev Maxim, Svetukhin Viacheslav, Tikhonchev Mikhail

Журнал: Известия Самарского научного центра Российской академии наук @izvestiya-ssc

Рубрика: Физика и электроника

Статья в выпуске: 4-5 т.15, 2013 года.

Бесплатный доступ

The development of N-body interatomic potential for a single-component hcp beryllium had been carried out. The potential had been based on the embedded atom method. The analytical equations and fitting procedure had been taken from the literature. The developed potential well reproduces the lattice parameters, cohesive energy, the energy of formation of vacancies, and part of the elastic constants of beryllium. The discrepancies are observed for values of the c 12, c 13, and c 44 elastic constants.

Interatomic interaction, single-component hcp beryllium. elastic constant

Короткий адрес: https://sciup.org/148202412

IDR: 148202412

Статья научная