Molecular dynamics simulations of glass formation and atomic structures in Zr60Cu20Fe20 ternary bulk metallic alloy
Küçük Resim Yok
Tarih
2017
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Pergamon-Elsevier Science Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this study, the atomic structures and the glass formation process of Zr60Cu20Fe20 ternary bulk metallic alloy were studied by molecular dynamics simulation using the many body tight-binding potentials. In order to investigate glass transition, the specific heat, enthalpy, radial distribution functions, and coordination number were used. The local atomic order in the ternary Zr60Cu20Fe20 was been analyzed using Honeycutt-Andersen pair analysis technique, the distribution of bond-angles and Voronoi analysis. The results show that Zr60Cu20Fe20 alloy begins to transform into a glass, the temperature decreased rapidly to -1000K, and Cu and Fe atoms play important role in the formation of icosahedra environment in alloy. (C) 2016 Elsevier Ltd. All rights reserved.
Açıklama
Anahtar Kelimeler
Bulk Metallic Alloy, Glass Transition, Short-Range Order, Molecular Dynamic Simulations, Bond-Angle Distribution, Honeycutt-Andersen Index, Forming Ability, Zr, Crystallization, Clusters, Ni, Co
Kaynak
Vacuum
WoS Q Değeri
Q2
Scopus Q Değeri
Q1
Cilt
136
