Zobrazeno 1 - 10
of 108
pro vyhledávání: '"tight binding potential"'
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 432-443 (2023)
Scenarios of structure formation in four-component nanoparticles are considered. The objects of study were Au-Cu-Pd-Pt nanoparticles containing N = 400, 800, 1200, 1600, 2000, 4000 atoms of the stoichiometric composition Au3CuPd12Pt4. Two alternative
Externí odkaz:
https://doaj.org/article/3826470290b54c1d98206a3841c5cdd8
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 495-506 (2023)
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 b
Externí odkaz:
https://doaj.org/article/0fee2059744246408e8bcde85a373b81
Scenarios of structure formation in ternar nanoparticles based on Pd-Pt in the presence of dopant Ni
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 507-519 (2023)
In this work, scenarios of structure formation in ternary nanoparticles based on platinum and palladium of four stoichiometric compositions of different sizes were studied, with nickel acting as a dopant. Two alternative methods were used: the molecu
Externí odkaz:
https://doaj.org/article/d6e96bceccbc41909d6fe20daaa2d7ae
Autor:
K.G. Savina, R.E. Grigoryev, A.D. Veselov, S.S. Bogdanov, P.M. Ershov, S.A. Veresov, D.R. Zorin, V.S. Myasnichenko, N.Yu. Sdobnyakov
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 543-553 (2023)
The processes of structure formation in Co-Au and Ti-V metal nanoparticles as well as factors affecting the crystallization process are considered. The objects of the study were Co-Au and Ti-V binary nanoparticles containing N = 400, 800, 1520 and 50
Externí odkaz:
https://doaj.org/article/1b66424c05654ab4b1b910dc34cfa961
Autor:
N.Yu. Sdobnyakov, A.Yu. Kolosov, D.N. Sokolov, K.G. Savina, A.N. Bazulev, S.A. Veresov, S.V. Serov
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 589-601 (2023)
The melting and crystallization phase transitions in the five-component metallic Au-Ag-Cu-Pd-Pt equiatomic nanosystem were investigated. The complex approach to atomistic modeling is due to the use of alternative methods of computer simulation – th
Externí odkaz:
https://doaj.org/article/2c65074bf8774c1f8d6e1dccffabdf3a
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 15, Pp 602-613 (2023)
This work is devoted to the problem of thermal stability of mono- and binary metal nanocages consisting of gold and silver atoms. The number of atoms in the studied nanocages was 1744, 2150, 2470 and 3370 atoms. The characteristic size (outer diamete
Externí odkaz:
https://doaj.org/article/a6e7cfdcba79401fa610565e17af2e94
Autor:
I.V. Talyzin, V.M. Samsonov, S.S. Bogdanov, N.Yu.. Sdobnyakov, R.E. Grigoryev, A.V. Pervikov, I.V. Mishakov
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 307-320 (2022)
The paper is devoted to the substantiation and further development of the approach to the analysis of the mesoscopic and integral structure of binary metal nanoparticles from the radial distributions of the local density of the components. As an exam
Externí odkaz:
https://doaj.org/article/448260433dec4d138020bb17567d5a0d
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 362-370 (2022)
A comparative molecular dynamics simulation of the gas-phase synthesis of Ag nanoparticles is carried out employing two different types of many-particle potentials of the interatomic interaction: a potential corresponding to the embedded atom method
Externí odkaz:
https://doaj.org/article/ab3712ad436946bc9c3b8165ed4d08d6
To the problem of investigating the processes of structure formation in four-component nanoparticles
Autor:
S.A. Veresov, K.G. Savina, A.D. Veselov, S.V. Serov, A.Yu. Kolosov, V.S. Myasnichenko, N.Yu. Sdobnyakov, D.N. Sokolov
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 371-382 (2022)
Various types of configurations of the Au-Cu-Pd-Pt four-component nanosystem, including complex core-shell structures, have been studied. The Monte Carlo method was used as a simulation method, the interatomic interaction was described by the tight-b
Externí odkaz:
https://doaj.org/article/3bc4eff013dd48adb01e3ab804733511
Autor:
Yu.Ya. Gafner, D.A. Ryzhkova
Publikováno v:
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 14, Pp 391-398 (2022)
The process of synthesis of CuAu nanoclusters from a high-temperature gas phase was simulated. The molecular dynamics method was employed, 1124 Cu and Au atoms were used as the initial configuration. The computer model of synthesis from the gas phase
Externí odkaz:
https://doaj.org/article/43874fd166c2423098de301b73e47139