ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION
In this paper a molecular-dynamics simulation of the structure and thermal stability of the copper clusters size up to 100 atoms has been carried out using many-body tight-binding potential. On the basis of the calculation of a local minimum energy for copper clusters it the «magic» nanoclusters can...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | Russian |
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Tver State University
2015-11-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%9C%D1%8F%D1%81%D0%BD%D0%B8%D1%87%D0%B5%D0%BD%D0%BA%D0%BE%20%D0%92%D0%A1.pdf |
| _version_ | 1818186893338083328 |
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| author | V.S. Myasnichenko P.M. Ershov N.Yu. Sdobnyakov D.N. Sokolov |
| author_facet | V.S. Myasnichenko P.M. Ershov N.Yu. Sdobnyakov D.N. Sokolov |
| author_sort | V.S. Myasnichenko |
| collection | DOAJ |
| description | In this paper a molecular-dynamics simulation of the structure and thermal stability of the copper clusters size up to 100 atoms has been carried out using many-body tight-binding potential. On the basis of the calculation of a local minimum energy for copper clusters it the «magic» nanoclusters can be found which are more stable. The size dependencies of the thermodynamic and structural characteristics for such clusters demonstrate specific behavior. |
| first_indexed | 2024-12-11T23:02:22Z |
| format | Article |
| id | doaj.art-db1846af6ab148f38e0a94af50b8cf25 |
| institution | Directory Open Access Journal |
| issn | 2226-4442 2658-4360 |
| language | Russian |
| last_indexed | 2024-12-11T23:02:22Z |
| publishDate | 2015-11-01 |
| publisher | Tver State University |
| record_format | Article |
| series | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| spelling | doaj.art-db1846af6ab148f38e0a94af50b8cf252022-12-22T00:47:02ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602015-11-017378386ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATIONV.S. Myasnichenko0P.M. Ershov1N.Yu. Sdobnyakov2D.N. Sokolov3Tver State University, Rubtsovsk Industrial Institute (branch) of Polzunov Altai State Technical UniversityTver State UniversityTver State UniversityTver State UniversityIn this paper a molecular-dynamics simulation of the structure and thermal stability of the copper clusters size up to 100 atoms has been carried out using many-body tight-binding potential. On the basis of the calculation of a local minimum energy for copper clusters it the «magic» nanoclusters can be found which are more stable. The size dependencies of the thermodynamic and structural characteristics for such clusters demonstrate specific behavior.http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%9C%D1%8F%D1%81%D0%BD%D0%B8%D1%87%D0%B5%D0%BD%D0%BA%D0%BE%20%D0%92%D0%A1.pdfmolecular dynamicstight-binding potentialcopper nanoclustersmelting temperaturemagic clusters |
| spellingShingle | V.S. Myasnichenko P.M. Ershov N.Yu. Sdobnyakov D.N. Sokolov ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов molecular dynamics tight-binding potential copper nanoclusters melting temperature magic clusters |
| title | ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION |
| title_full | ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION |
| title_fullStr | ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION |
| title_full_unstemmed | ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION |
| title_short | ON THE RELATIONSHIP BETWEEN STRUCTURE AND THERMAL STABILITY PROPERTIES OF COPPER CLUSTERS SIZE UP TO 100 ATOMS IN MOLECULAR-DYNAMICS SIMULATION |
| title_sort | on the relationship between structure and thermal stability properties of copper clusters size up to 100 atoms in molecular dynamics simulation |
| topic | molecular dynamics tight-binding potential copper nanoclusters melting temperature magic clusters |
| url | http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%9C%D1%8F%D1%81%D0%BD%D0%B8%D1%87%D0%B5%D0%BD%D0%BA%D0%BE%20%D0%92%D0%A1.pdf |
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