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

Результат исследований: Материалы для книги/типы отчетовМатериалы для конференции

2 Цитирования (Scopus)

Аннотация

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.

Язык оригиналаАнглийский
Название основной публикацииProspects of Fundamental Sciences Development, PFSD-2016
Подзаголовок основной публикацииProceedings of the XIII International Conference of Students and Young Scientists
ИздательAmerican Institute of Physics Inc.
Том1772
ISBN (электронное издание)9780735414303
DOI
СостояниеОпубликовано - 13 окт 2016
Событие13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016 - Tomsk, Российская Федерация
Продолжительность: 26 апр 201629 апр 2016

Конференция

Конференция13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016
СтранаРоссийская Федерация
ГородTomsk
Период26.4.1629.4.16

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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  • Цитировать

    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. В Prospects of Fundamental Sciences Development, PFSD-2016: Proceedings of the XIII International Conference of Students and Young Scientists (Том 1772). [060019] American Institute of Physics Inc.. https://doi.org/10.1063/1.4964599