An ab initio simulation and experimental studies of the glass-forming ability and properties of Al86Ni(14-x)Zrx (x = 1∼7) alloys

Zhang, Shuo; Chong, Kai; Zhang, Zhibin; Gao, Yu Fei; Cao, Yingwen; Wu, Dongting; Qian, Zhao; Zhao, Guolong; Zou, Yong

doi:10.1016/j.jnoncrysol.2022.121566

Cited by 10 publications

(1 citation statement)

References 43 publications

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“…Voronoi polyhedrons with Ag atoms at their centers, such as <0, 0, 12, 0> and <0, 1, 10, 2>, have a higher stability in the system, which leads to a decrease in the number of <0, 0, 12, 0> Voronoi polyhedrons in the system and greatly changes the cluster structure of the Zr-Cu-Al alloy system. Although the content of <0, 0, 12, 0>, which is a complete icosahedron with no distortion in Zr 50 Cu 44.5−x Al 5.5 Ag x (x = 0, 1.5, 3 at.%) BMGs, presents a monotonically decreasing trend, this may not be a determining factor of the GFA [32], on which the total proportion of theses ICO-like and ICO clusters has an obvious impact [33]. Herein, the total proportion of these 10 types of Voronoi polyhedrons in the Zr 50 Cu 44.5 Al 5.5 , Zr 50 Cu 43 Al 5.5 Ag 1.5 , and Zr 50 Cu 41.5 Al 5.5 Ag 3 BMGs is 45.19%, 45.25%, and 45.64%, respectively, which presents a slightly increasing trend with the increase in Ag content.…”

Section: Resultsmentioning

confidence: 94%

The Correlation among the Atomic Structure, Electronic Valence Band and Properties of Zr-Cu-Al-Ag Bulk Metallic Glasses

Hopur,

Chen,

Zhou

et al. 2023

Metals

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Investigating the relationship between the glass-forming ability (GFA), mechanical properties, and structure of metallic glasses is crucial to understanding the nature of the metallic glass state. In this study, the correlation among the atomic structure, electronic valence band, and properties have been studied using Zr50Cu44.5−xAl5.5Agx (x = 0, 1.5, 3 at.%) bulk metallic glasses (BMGs). The results reveal that through the micro-addition of Ag, the GFA of Zr50Cu44.5Al5.5 BMG can be enhanced; meanwhile, the critical diameter of Zr50Cu44.5Al5.5 glass rods increases from approximately 2.5 mm to 5.0 mm with the addition of 3% Ag. Through the addition of Ag, the thermal stability of Zr50Cu44.5Al5.5 BMG is improved, and the proportion of icosahedral-like clusters increases. The plasticity of the Zr50Cu44.5−xAl5.5Agx (x = 0, 1.5, 3 at.%) BMGs decreased from 4.6% to 0.8% with the addition of Ag. The valence band spectrum of the Zr50Cu44.5−xAl5.5Agx (x = 0, 1.5, 3 at.%) BMGs indicates that with the addition of Ag, the p-d hybridization near the Fermi level is enhanced, and the binding energy will move to a lower value.

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Section: Resultsmentioning

confidence: 94%