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An Electrostatic Approach to Constructing the Atomic Interaction Potentials in Multi-Component Alloys

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Russian Physics Journal Aims and scope

Abstract

Based on the classical concepts of metal structure, a semi-empirical model of a metal crystal is proposed. Rather than approximating the interatomic potential type, this model estimates the electron density distribution. Parameters of the electron density distribution of ions in a crystal are also parameters of the interatomic potentials. This method is applicable to the description of properties of both ordered and disordered multi-component alloys.

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Authors and Affiliations

  1. Altai State Technical University, Russia

    M. A. Baranov, E. V. Chernykh & M. D. Starostenko

  2. Siberian Physicotechnival Institute at Tomsk State University, Russia

    A. I. Potekaev

Authors
  1. M. A. Baranov
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  2. E. V. Chernykh
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  3. M. D. Starostenko
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  4. A. I. Potekaev
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Baranov, M.A., Chernykh, E.V., Starostenko, M.D. et al. An Electrostatic Approach to Constructing the Atomic Interaction Potentials in Multi-Component Alloys. Russian Physics Journal 44, 404–411 (2001). https://doi.org/10.1023/A:1011900530002

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  • DOI: https://doi.org/10.1023/A:1011900530002

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