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.
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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