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 language | English |
|---|---|
| Title of host publication | Prospects of Fundamental Sciences Development, PFSD-2016 |
| Subtitle of host publication | Proceedings of the XIII International Conference of Students and Young Scientists |
| Publisher | American Institute of Physics Inc. |
| Volume | 1772 |
| ISBN (Electronic) | 9780735414303 |
| DOIs | |
| Publication status | Published - 13 Oct 2016 |
| Event | 13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016 - Tomsk, Russian Federation Duration: 26 Apr 2016 → 29 Apr 2016 |
Conference
| Conference | 13th International Conference of Students and Young Scientists on Prospects of Fundamental Sciences Development, PFSD 2016 |
|---|---|
| Country | Russian Federation |
| City | Tomsk |
| Period | 26.4.16 → 29.4.16 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
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 proceeding › Conference contribution
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TY - GEN
T1 - A study of the applicability of different types of interatomic potentials to compute elastic properties of metals with molecular dynamics methods
AU - Chistyakova, Nadezhda
AU - Tran, Thi My Hue
PY - 2016/10/13
Y1 - 2016/10/13
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84994131731&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84994131731&partnerID=8YFLogxK
U2 - 10.1063/1.4964599
DO - 10.1063/1.4964599
M3 - Conference contribution
AN - SCOPUS:84994131731
VL - 1772
BT - Prospects of Fundamental Sciences Development, PFSD-2016
PB - American Institute of Physics Inc.
ER -