Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4
The final configurations obtained during crystallization in ternary metal nanoalloys Tix-Al96-x-V4 of various compositions were studied. The molecular dynamics method was used as an atomistic simulation method. Interatomic interaction was described by the tight-binding potential. The size dependen...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | Russian |
| Published: |
Tver State University
2023-12-01
|
| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| Subjects: | |
| Online Access: | https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-495/?lang=en |
| _version_ | 1797417485391101952 |
|---|---|
| author | V.S. Myasnichenko P.M. Ershov S.A. Veresov A.N. Bazulev N.Yu. Sdobnyakov |
| author_facet | V.S. Myasnichenko P.M. Ershov S.A. Veresov A.N. Bazulev N.Yu. Sdobnyakov |
| author_sort | V.S. Myasnichenko |
| collection | DOAJ |
| description | The final configurations obtained during crystallization in ternary metal nanoalloys
Tix-Al96-x-V4 of various compositions were studied. The molecular dynamics method was used as an atomistic simulation method. Interatomic interaction was described by the tight-binding potential. The size dependence of melting temperatures, as well as changes in melting and crystallization temperatures with changes in the composition of ternary nanoparticles, have been determined. Based on the results of a series of computer experiments, differences in the crystallization scenarios of Tix-Al96-x-V4 ternary nanoparticles were established. A classification based on internal structure and degree of crystallinity was proposed and tested. For Tix-Al96-x-V4 ternary nanoparticles, five main classes are identified based on the number of (semi) axes of 5th order symmetry. Despite the fact that studying the segregation of components of Tix-Al96-x-V4 ternary nanoparticles was not the goal of the work, atomic configurations corresponding to different temperatures during the cooling process were constructed and described.
|
| first_indexed | 2024-03-09T06:20:25Z |
| format | Article |
| id | doaj.art-0fee2059744246408e8bcde85a373b81 |
| institution | Directory Open Access Journal |
| issn | 2226-4442 2658-4360 |
| language | Russian |
| last_indexed | 2024-03-09T06:20:25Z |
| publishDate | 2023-12-01 |
| publisher | Tver State University |
| record_format | Article |
| series | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
| spelling | doaj.art-0fee2059744246408e8bcde85a373b812023-12-03T11:48:38ZrusTver State UniversityФизико-химические аспекты изучения кластеров, наноструктур и наноматериалов2226-44422658-43602023-12-011549550610.26456/pcascnn/2023.15.495Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4V.S. Myasnichenko0P.M. Ershov1S.A. Veresov2A.N. Bazulev3N.Yu. Sdobnyakov4Tver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaTver State University, Tver, RussiaThe final configurations obtained during crystallization in ternary metal nanoalloys Tix-Al96-x-V4 of various compositions were studied. The molecular dynamics method was used as an atomistic simulation method. Interatomic interaction was described by the tight-binding potential. The size dependence of melting temperatures, as well as changes in melting and crystallization temperatures with changes in the composition of ternary nanoparticles, have been determined. Based on the results of a series of computer experiments, differences in the crystallization scenarios of Tix-Al96-x-V4 ternary nanoparticles were established. A classification based on internal structure and degree of crystallinity was proposed and tested. For Tix-Al96-x-V4 ternary nanoparticles, five main classes are identified based on the number of (semi) axes of 5th order symmetry. Despite the fact that studying the segregation of components of Tix-Al96-x-V4 ternary nanoparticles was not the goal of the work, atomic configurations corresponding to different temperatures during the cooling process were constructed and described. https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-495/?lang=enmolecular dynamics methodtight-binding potentialternary nanoparticlesstructure formationmelting and crystallization temperatures |
| spellingShingle | V.S. Myasnichenko P.M. Ershov S.A. Veresov A.N. Bazulev N.Yu. Sdobnyakov Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов molecular dynamics method tight-binding potential ternary nanoparticles structure formation melting and crystallization temperatures |
| title | Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 |
| title_full | Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 |
| title_fullStr | Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 |
| title_full_unstemmed | Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 |
| title_short | Size effect and structural transformations in ternar nanoparticles Tix-Al96-x-V4 |
| title_sort | size effect and structural transformations in ternar nanoparticles tix al96 x v4 |
| topic | molecular dynamics method tight-binding potential ternary nanoparticles structure formation melting and crystallization temperatures |
| url | https://physchemaspects.ru/2023/doi-10-26456-pcascnn-2023-15-495/?lang=en |
| work_keys_str_mv | AT vsmyasnichenko sizeeffectandstructuraltransformationsinternarnanoparticlestixal96xv4 AT pmershov sizeeffectandstructuraltransformationsinternarnanoparticlestixal96xv4 AT saveresov sizeeffectandstructuraltransformationsinternarnanoparticlestixal96xv4 AT anbazulev sizeeffectandstructuraltransformationsinternarnanoparticlestixal96xv4 AT nyusdobnyakov sizeeffectandstructuraltransformationsinternarnanoparticlestixal96xv4 |