Výsledky vyhledávání - "D. K. Belashchenko"

Computer Modeling of Sodium in the Embedded Atom Model

Autor: D. K. Belashchenko

Publikováno v: Russian Journal of Physical Chemistry A. 95:106-118

The pair contribution to the potential of sodium in the embedded atom model (EAM) is refined. Two potentials (EAM-2 and EAM-3) that differ in the shape of the embedding potentials are calculated from data on the shock compression and isothermal compr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8a629db663a370df2df36873774a6452
https://doi.org/10.1134/s0036024421010040

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Analysis of Shock Compression Data for Porous Samples

Autor: D. K. Belashchenko

Publikováno v: Russian Journal of Physical Chemistry A. 94:1971-1981

The literature data on shock compression of compact and porous samples of a number of metals (copper, tin, lead, bismuth, iron, and nickel) and the use of these data in calculations of interparticle potentials in the embedded atom model (EAM) were co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::464b154b02e7562faa474332fa7d7146
https://doi.org/10.1134/s0036024420100064

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Computer Simulation of Nickel and the Account for Electron Contributions in the Molecular Dynamics Method

Autor: D. K. Belashchenko

Publikováno v: High Temperature. 58:64-77

Two new potentials are proposed for the embedded-atom model for nickel: one that includes the thermal contribution of electrons to the energy and one that disregards it. The potential parameters are found based on the nickel properties in isobar p =

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d21359021e8337ae585dfffc21aea023
https://doi.org/10.1134/s0018151x20010034

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Inclusion of the Coulomb Interaction in the Embedded-Atom Model: Lithium–Lead System

Autor: D. K. Belashchenko

Publikováno v: High Temperature. 57:848-858

A scheme is proposed for the incorporation of a screened Coulomb interaction into an embedded-atom model, which allows one to describe two- and multicomponent solutions with strong component interaction by the molecular dynamics method. The effective

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0773e2d022fe80e2faba757b091e4327
https://doi.org/10.1134/s0018151x19060075

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Modeling Liquid Antimony by Means of Molecular Dynamics

Autor: D. K. Belashchenko

Publikováno v: Russian Journal of Physical Chemistry A. 93:1093-1105

The potential of the embedded-atom model (EAM) for liquid antimony is calculated, and the molecular dynamics models are constructed for antimony at temperatures of up to 2023 K and under conditions of shock compression up to a pressure of 131 GPa. It

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::52c6f9fe2f3deb305564d4e8b72da686
https://doi.org/10.1134/s0036024419060062

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