Show simple item record

Zalizniak, V. E.
Zolotov, O. A.
2020-01-20T07:56:38Z
2020-01-20T07:56:38Z
2019-06
Zalizniak, V. E. Embedded-atom method interatomic potential for boron nanostructures [Текст] / V. E. Zalizniak, O. A. Zolotov // Journal of Molecular Modeling. — 2019. — Т. 25. — С. 165: 1-7
16102940
https://link.springer.com/article/10.1007/s00894-019-4049-9
http://elib.sfu-kras.ru/handle/2311/129266
Текст статьи не публикуется в открытом доступе в соответствии с политикой журнала.
Parameters of embedded-atom method interatomic potential for boron are presented in this paper. The potential parameters were determined by means of ab initio data for boron cluster B20, triangular boron sheet, and body-centered cubic structure. The potential has been tested against basic properties of various boron structures. They are face-centered cubic, diamond-like, bodycentered tetragonal, icosahedron B12 and icosahedral chain structures. One can conclude that the proposed potential provides a reasonable representation of the interatomic interaction in boron nanostructures, and it is intended for use in large-scale molecular dynamics simulations of boron nanomaterials
Interatomic potential
Embedded-atom method
Boron
Embedded-atom method interatomic potential for boron nanostructures
Journal Article
Published Journal Article
165: 1-7
29.19.22
2020-01-20T07:56:37Z
10.1007/s00894-019-4049-9
Институт математики и фундаментальной информатики
Базовая кафедра математического моделирования и процессов управления
Journal of Molecular Modeling
Q3
Q3


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record