Email this article Prediction of Segregation in Binary Metal Nanoparticles: Thermodynamic and Atomistic Simulations
- Authors: Samsonov V.M.1, Talyzin I.V.1, Kartoshkin A.Y.1, Samsonov M.V.1
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Affiliations:
- Tver State University
- Issue: Vol 120, No 6 (2019)
- Pages: 578-583
- Section: Structure, Phase Transformations, and Diffusion
- URL: https://journals.rcsi.science/0031-918X/article/view/168535
- DOI: https://doi.org/10.1134/S0031918X19060115
- ID: 168535
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Abstract
A complex approach based on thermodynamic and atomistic simulations is used to predict segregation in binary metal nanoparticles of Cu–Ni and Ag–Au. The results of thermodynamic simulation within the model of limited source of segregating component agree with those of the atomistic simulation, and both predict the surface segregation of Cu atoms in the Cu–Ni nanoalloys and the segregation of Ag atoms at the surface of the binary Ag–Au nanoparticles.
About the authors
V. M. Samsonov
Tver State University
Author for correspondence.
Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100
I. V. Talyzin
Tver State University
Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100
A. Yu. Kartoshkin
Tver State University
Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100
M. V. Samsonov
Tver State University
Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100
