MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS

MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS

In this paper, we study the structure of the modeled copper clusters containing up to 100 atoms. The most stable configuration were determined by calculating the internal potential energy with using the Cleri-Rosato many-body potential. Using ToposPro we have performed the topological analysis of th...

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Main Authors: A.A Esser, V.S Myasnichenko, L.A. Myasnichenko, N.Yu. Sdobnyakov
Format: Article
Language:Russian
Published: Tver State University 2015-11-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:
cluster
intermetallic compound
structure
topology
Online Access:http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%AD%D1%81%D0%B5%D1%80%20%D0%90%D0%90.pdf
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spelling doaj-7e5e1cfc6d4940c38556ef98f8948b782020-11-25T01:54:29ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602015-11-017541547MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICSA.A Esser0V.S Myasnichenko1L.A. Myasnichenko2N.Yu. Sdobnyakov3Samara National Research UniversityRubtsovsk Industrial Institute (branch) of Polzunov Altai State Technical University, Tver State UniversityN.A. Chinakal Institute of Mining, Siberian Branch, Russian Academy of SciencesTver State UniversityIn this paper, we study the structure of the modeled copper clusters containing up to 100 atoms. The most stable configuration were determined by calculating the internal potential energy with using the Cleri-Rosato many-body potential. Using ToposPro we have performed the topological analysis of the Cu4-Cu100 clusters, as a result one can see that the modeled clusters have the certain types of internal polyhedral cores. With increase of the size of the nanoclusters their occurrence in intermetallics monotonically decreases. The sequential topological growth of copper nanoclusters with internal icosahedron was realized only in certain size ranges.http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%AD%D1%81%D0%B5%D1%80%20%D0%90%D0%90.pdfclusterintermetallic compoundstructuretopology
collection DOAJ
language Russian
format Article
sources DOAJ
author A.A Esser
V.S Myasnichenko
L.A. Myasnichenko
N.Yu. Sdobnyakov
spellingShingle A.A Esser
V.S Myasnichenko
L.A. Myasnichenko
N.Yu. Sdobnyakov
MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
cluster
intermetallic compound
structure
topology
author_facet A.A Esser
V.S Myasnichenko
L.A. Myasnichenko
N.Yu. Sdobnyakov
author_sort A.A Esser
title MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
title_short MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
title_full MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
title_fullStr MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
title_full_unstemmed MODELLING OF THE COPPER CLUSTER’S GROWTH: TOPOLOGICAL DESCRIPTION, STABILITY AND OCCURRENCE IN INTERMETALLICS
title_sort modelling of the copper cluster’s growth: topological description, stability and occurrence in intermetallics
publisher Tver State University
series Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
issn 2226-4442
2658-4360
publishDate 2015-11-01
description In this paper, we study the structure of the modeled copper clusters containing up to 100 atoms. The most stable configuration were determined by calculating the internal potential energy with using the Cleri-Rosato many-body potential. Using ToposPro we have performed the topological analysis of the Cu4-Cu100 clusters, as a result one can see that the modeled clusters have the certain types of internal polyhedral cores. With increase of the size of the nanoclusters their occurrence in intermetallics monotonically decreases. The sequential topological growth of copper nanoclusters with internal icosahedron was realized only in certain size ranges.
topic cluster
intermetallic compound
structure
topology
url http://physchemaspects.ru/archives/2015/%D0%A4%D0%A5-2015%20%D0%AD%D1%81%D0%B5%D1%80%20%D0%90%D0%90.pdf
work_keys_str_mv AT aaesser modellingofthecopperclustersgrowthtopologicaldescriptionstabilityandoccurrenceinintermetallics
AT vsmyasnichenko modellingofthecopperclustersgrowthtopologicaldescriptionstabilityandoccurrenceinintermetallics
AT lamyasnichenko modellingofthecopperclustersgrowthtopologicaldescriptionstabilityandoccurrenceinintermetallics
AT nyusdobnyakov modellingofthecopperclustersgrowthtopologicaldescriptionstabilityandoccurrenceinintermetallics
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