A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods

Nadezhda Chistyakova, Thi My Hue Tran

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

The paper describes three common types of interatomic interaction potentials used for constructing theoretical models of the matter. The pair potentials are the Morse potential and the multiparticle potentials are the embedded atom method (EAM), the modified embedded atom method (MEAM). The rules of potential constructing and the fields of their application have been considered. Three types of potentials was used for calculation the elastic properties of palladium. The aim of the work is to determine which of the potentials - Morse potential, EAM or MEAM are better suited for calculating properties of palladium. It was found that all three potential approximately equally determine the properties of palladium. However, the Morse potential has the advantage because its structure is much simpler.

Original languageEnglish
Title of host publicationProspects of Fundamental Sciences Development, PFSD-2016
Subtitle of host publicationProceedings of the XIII International Conference of Students and Young Scientists
PublisherAmerican Institute of Physics Inc.
Volume1772
ISBN (Electronic)9780735414303
DOIs
Publication statusPublished - 13 Oct 2016
Event13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016 - Tomsk, Russian Federation
Duration: 26 Apr 201629 Apr 2016

Conference

Conference13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016
CountryRussian Federation
CityTomsk
Period26.4.1629.4.16

Fingerprint

elastic properties
molecular dynamics
embedded atom method
Morse potential
metals
palladium
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Chistyakova, N., & Tran, T. M. H. (2016). A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods. In Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists (Vol. 1772). [060019] American Institute of Physics Inc.. https://doi.org/10.1063/1.4964599

A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods. / Chistyakova, Nadezhda; Tran, Thi My Hue.

Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists. Vol. 1772 American Institute of Physics Inc., 2016. 060019.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Chistyakova, N & Tran, TMH 2016, A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods. in Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists. vol. 1772, 060019, American Institute of Physics Inc., 13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016, Tomsk, Russian Federation, 26.4.16. https://doi.org/10.1063/1.4964599
Chistyakova N, Tran TMH. A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods. In Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists. Vol. 1772. American Institute of Physics Inc. 2016. 060019 https://doi.org/10.1063/1.4964599
Chistyakova, Nadezhda ; Tran, Thi My Hue. / A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods. Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists. Vol. 1772 American Institute of Physics Inc., 2016.
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