COMPUTER MODELS OF DEALLOYING IN BINARY METAL NANOPARTICLES

COMPUTER MODELS OF DEALLOYING IN BINARY METAL NANOPARTICLES

Two alternative molecular dynamics models (programs) involving the Gupta (tight-binding) potential have been used to reproduce the dealloying phenomenon in the Au – Ag nanoalloy. Program I successively removes Ag atoms from the particle surface layer (we simulated nanoparticles consisting initially...

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Bibliographic Details
Main Authors: V.S. Myasnichenko, V.M. Samsonov, N.Yu. Sdobnyakov, A.G. Bembel, S.A. Vasilyev, A.Yu. Kolosov, K.G. Savina, P.M. Ershov, D.N. Sokolov
Format: Article
Language:Russian
Published: Tver State University 2019-12-01
Series:Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов
Subjects:
dealloying phenomenon
molecular dynamics method
binary metal nanoparticles
segregation
defects
core-shell structures
Online Access:https://physchemaspects.ru/2019/doi-10-26456-pcascnn-2019-11-487/?lang=en

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https://physchemaspects.ru/2019/doi-10-26456-pcascnn-2019-11-487/?lang=en

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