Journal of Alloys and Compounds, volume 763, pages 719-727
Growth of the Pt/Cu(111) surface alloy: Self-learning kinetic Monte Carlo simulations
Publication type: Journal Article
Publication date: 2018-09-01
Journal:
Journal of Alloys and Compounds
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 6.2
ISSN: 09258388
Materials Chemistry
Metals and Alloys
Mechanical Engineering
Mechanics of Materials
Abstract
In this paper we present new parameters of the TB-SMA interatomic potentials for the Pt/Cu(111) surface alloy. The parameters are fitted using both the experimental and {\it ab initio} data. The potentials reproduce not only the bulk properties of copper and platinum, but also the energy characteristics of the Pt/Cu(111) surface alloy. The potentials can be used for the simulations of the growth of the Pt/Cu(111) surface alloy on the atomic scale.
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Dokukin S. A. et al. Growth of the Pt/Cu(111) surface alloy: Self-learning kinetic Monte Carlo simulations // Journal of Alloys and Compounds. 2018. Vol. 763. pp. 719-727.
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Dokukin S. A., Kolesnikov S. V., Saletsky A. M., Klavsyuk A. L. Growth of the Pt/Cu(111) surface alloy: Self-learning kinetic Monte Carlo simulations // Journal of Alloys and Compounds. 2018. Vol. 763. pp. 719-727.
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TY - JOUR
DO - 10.1016/j.jallcom.2018.05.335
UR - https://doi.org/10.1016/j.jallcom.2018.05.335
TI - Growth of the Pt/Cu(111) surface alloy: Self-learning kinetic Monte Carlo simulations
T2 - Journal of Alloys and Compounds
AU - Dokukin, S A
AU - Kolesnikov, S. V.
AU - Saletsky, A. M.
AU - Klavsyuk, A. L.
PY - 2018
DA - 2018/09/01
PB - Elsevier
SP - 719-727
VL - 763
SN - 0925-8388
ER -
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@article{2018_Dokukin,
author = {S A Dokukin and S. V. Kolesnikov and A. M. Saletsky and A. L. Klavsyuk},
title = {Growth of the Pt/Cu(111) surface alloy: Self-learning kinetic Monte Carlo simulations},
journal = {Journal of Alloys and Compounds},
year = {2018},
volume = {763},
publisher = {Elsevier},
month = {sep},
url = {https://doi.org/10.1016/j.jallcom.2018.05.335},
pages = {719--727},
doi = {10.1016/j.jallcom.2018.05.335}
}