SIMULATION OF DIFFUSION NEAR THE INTERFACE OF METALS IN NANOALLOYS Co - M (M = Au, Cu, Pt)

Autor: K.R. Shcherbatykh, V.S. Myasnichenko, A.Yu. Kolosov, N. Yu. Sdobnyakov
Rok vydání: 2019
Předmět:
Zdroj: Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 11, Pp 500-510 (2019)
ISSN: 2226-4442
Popis: This paper presents results of molecular dynamics simulations for ordered configurations of cobalt nanoalloys. Atomic diffusion in Janus particles with a diameter of 3.6 nm was studied in the temperature range up to 1200K. It was found that the diffusion coefficient significantly depends on the composition of nanoparticles, namely on the degree of dimensional mismatch of the nanoalloy components. At the same time, the diffusion coefficient increases slightly when the relative number of vacancies doubles from 1% to 2%.
Databáze: OpenAIRE