Articles with "composition effect" as a keyword



Composition effect on melting behaviors of Cu-Au-Pt trimetallic nanoalloys

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Published in 2019 at "Computational and Theoretical Chemistry"

DOI: 10.1016/j.comptc.2019.112576

Abstract: Abstract In this study, molecular dynamics simulations were performed on 55-atom icosahedral Cu13AunPt42-n, Au13CunPt42-n and Pt13AunCu42-n (n = 1–41) nanoalloys. In order to present the composition effect on the melting behaviors in detail, three different icosahedral compositions… read more here.

Keywords: composition effect; trimetallic nanoalloys; composition; effect melting ... See more keywords
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Size and composition effect on structural properties and melting behaviors of Cu–Ag–Au ternary nanoalloys

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Published in 2020 at "International Journal of Modern Physics C"

DOI: 10.1142/s0129183120500783

Abstract: Structural optimization of ternary Cu–Ag–Au nanoalloys with 38 and 55 atoms was performed using the basin-hopping algorithm and the Gupta many-body potential was adopted to model interatomic intera... read more here.

Keywords: structural properties; size composition; composition effect; effect structural ... See more keywords