Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations
Basing on the MD-simulated data the comparison of physicochemical properties of TM-nanoclusters (Pd,Ni,Fe), and Si-nanoparticles has been carried on in the purpose to understand the specificity of structure changes in depending on nature of interatomic bonds and initial structures (fcc, bcc, icosahe...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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EDP Sciences
2011-05-01
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| Series: | EPJ Web of Conferences |
| Online Access: | http://dx.doi.org/10.1051/epjconf/20111503002 |
| _version_ | 1818904207587016704 |
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| author | Galashev А.Е. Kurbanova E.D. Polukhin V.А. |
| author_facet | Galashev А.Е. Kurbanova E.D. Polukhin V.А. |
| author_sort | Galashev А.Е. |
| collection | DOAJ |
| description | Basing on the MD-simulated data the comparison of physicochemical properties of TM-nanoclusters (Pd,Ni,Fe), and Si-nanoparticles has been carried on in the purpose to understand the specificity of structure changes in depending on nature of interatomic bonds and initial structures (fcc, bcc, icosahedral – Ih). MDsimulation of thermic evolution including melting of TM- and Si- clusters was carried on up to 2000K. |
| first_indexed | 2024-12-19T21:03:46Z |
| format | Article |
| id | doaj.art-1c96ea308cb64c95b244b4c8c2ed02d4 |
| institution | Directory Open Access Journal |
| issn | 2100-014X |
| language | English |
| last_indexed | 2024-12-19T21:03:46Z |
| publishDate | 2011-05-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | EPJ Web of Conferences |
| spelling | doaj.art-1c96ea308cb64c95b244b4c8c2ed02d42022-12-21T20:05:43ZengEDP SciencesEPJ Web of Conferences2100-014X2011-05-01150300210.1051/epjconf/20111503002Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulationsGalashev А.Е.Kurbanova E.D.Polukhin V.А.Basing on the MD-simulated data the comparison of physicochemical properties of TM-nanoclusters (Pd,Ni,Fe), and Si-nanoparticles has been carried on in the purpose to understand the specificity of structure changes in depending on nature of interatomic bonds and initial structures (fcc, bcc, icosahedral – Ih). MDsimulation of thermic evolution including melting of TM- and Si- clusters was carried on up to 2000K.http://dx.doi.org/10.1051/epjconf/20111503002 |
| spellingShingle | Galashev А.Е. Kurbanova E.D. Polukhin V.А. Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations EPJ Web of Conferences |
| title | Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations |
| title_full | Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations |
| title_fullStr | Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations |
| title_full_unstemmed | Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations |
| title_short | Comparative analysis of termoscale effects, isomerization and stability of TM-nanoclusters (Pd,Ni,Fe) and Si in dependence on interatomic potentials. MD-simulations |
| title_sort | comparative analysis of termoscale effects isomerization and stability of tm nanoclusters pd ni fe and si in dependence on interatomic potentials md simulations |
| url | http://dx.doi.org/10.1051/epjconf/20111503002 |
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