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Dergiler / Sakarya University Journal of Science / 2020 / Cilt: 24 Sayı: 3

Alloying Effect on the Local Atomic Pressures of Nanoclusters

Songül TARAN
Sayfa
501–510
Yayın Tarihi
2020-06-01
DOI
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Also, it was observed that adding a smaller atom at the central site of the icosahedral structure exhibits decreasing of core stress.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:In this study, simulations were performed to investigate local atomic pressures of icosahedral nanoclusters with 55 atoms.
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Temel Bulgular & Veri:Before analyzing the local atomic pressures, the best chemical ordering structures were obtained using Monte Carlo Basin-Hopping algorithm within Gupta potential.
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Sonuç & Katkı:Also, it was observed that adding a smaller atom at the central site of the icosahedral structure exhibits decreasing of core stress.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:nanocluster · alloying · simulation

Abstract

In this study, simulations were performed to investigate local atomic pressures of icosahedral nanoclusters with 55 atoms. Before analyzing the local atomic pressures, the best chemical ordering structures were obtained using Monte Carlo Basin-Hopping algorithm within Gupta potential. Binary and ternary alloying effect on the local atomic pressures of mono, binary and ternary nanoclusters formed by Cu, Ag and Pt atoms was investigated in detail. It was obtained that adding one atom of second alloying metal in pure nanoclusters and also third alloying metal in binary nanoalloys can change the local atomic pressure due to locating tendency in the icosahedral structure. Also, it was observed that adding a smaller atom at the central site of the icosahedral structure exhibits decreasing of core stress.

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Bu Makaleye Atıf Yap

TARAN, S. (2020). Alloying Effect on the Local Atomic Pressures of Nanoclusters. Sakarya University Journal of Science, Cilt: 24 Sayı: 3, 501–510. https://ajindex.com/articles/941914

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