Modelling of the L12 → FCC phase transition in Cu3Au nanoclusters

Boundaries of thermal stability of the initial L12 phase in clusters of Cu3Au nano-alloy of up to 8 nm in size were investigated by molecular dynamics method using a modified tight-binding potential TB-SMA. It is shown that under the influence of the temperature factor FCC structure in Cu3Au cluste...

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Bibliographic Details
Main Authors: Yu.Ya. Gafner, S.L. Gafner, L.V. Redel, I.S. Zamulin
Format: Article
Language:Russian
Published: Tver State University 2017-12-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:
Online Access:http://physchemaspects.ru/archives/2017/fh2017-doi-10-26456-pcascnn-2017-9-153.pdf