Analysis of the possibilities of using interatomic potential for modeling of the matter properties

Authors A.A. Gaisha
Affiliations

National University of Shipbuilding named after admiral Makarov,

9, Geroev Stalingrada Av., 54000 Mykolaiv, Ukraine

Е-mail physics2005@mail.ru
Issue Volume 4, Year 2012, Number 2
Dates Received 07 September 2011, published online 08 May 2012
Citation A.A. Gaisha, J. Nano-Electron. Phys. 4 No 2, 02016 (2012)
DOI
PACS Number(s) 61.50.Ah
Keywords Simulation (34) , Morse potential, Lennard-Jones potential, Unit structure method, Numerical calculations.
Annotation The approach to the modeling of different matter properties (mechanical, thermal, some electrical) based on two-particle interatomic potential is proposed. The direct and indirect problems are formulated, which are, respectively, consist in the development of the techniques of potential use and in the determination of its form and parameters. It is proposed to extend the unit structure method on other parts of matter structure.

List of References

English version of article