Please use this identifier to cite or link to this item:
http://earchive.tpu.ru/handle/11683/35018
Title: | A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods |
Authors: | Chistyakova, Nadezhda Vladimirovna Thi My Hue Tran |
Keywords: | межатомные потенциалы; упругие свойства; металлы; молекулярная динамика; потенциал Морзе; палладий |
Issue Date: | 2016 |
Publisher: | AIP Publishing |
Citation: | Chistyakova N. V. A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods / N. V. Chistyakova, Thi My Hue Tran // AIP Conference Proceedings. — 2016. — Vol. 1772 : Prospects of Fundamental Sciences Development (PFSD-2016) : XIII International Conference of Students and Young Scientists, 26–29 April 2016, Tomsk, Russia : [proceedings]. — [060019, 7 p.]. |
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. |
URI: | http://earchive.tpu.ru/handle/11683/35018 |
Appears in Collections: | Материалы конференций |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
dx.doi.org-10.1063-1.4964599.pdf | 466,94 kB | Adobe PDF | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.