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

Author(s): A.A. Gaisha

Journal: Journal of Nano- and Electronic Physics
ISSN 2077-6772

Volume: 4;
Issue: 2;
Start page: 02016-1;
Date: 2012;
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Keywords: Simulation | Morse potential | Lennard-Jones potential | Unit structure method | Numerical calculation

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.
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