Medium-range order structure in liquid Cu3Au alloy

被引：0

作者：

Cong, HR ^{[1
]}

Bian, XF

Li, H

机构：

[1] Shandong Univ, Minist Educ, Key Lab Liquid Struct & Hered Mat, Jinan 250061, Peoples R China

[2] Nanjing Univ, State Key Lab Microstruct Solid, Nanjing 210093, Peoples R China

来源：

CHINESE JOURNAL OF INORGANIC CHEMISTRY | 2002年 / 18卷 / 05期

关键词：

liquid Cu3Au alloy; structure factor; prepeak; medium-range order;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The microstructure of liquid Cu3Au alloy is studied by molecular dynamics simulation, based on Tight-binding (TB) potential. It is found that there exist prepeaks in the structural factors among 400 similar to 500K above melting point. With temperature increasing, the intensity of prepeak gradually decreases. When temperature exceeds 1764K, the prepeak in the structural factor disappears. Lorentzian approximation and Scherrer formula indicate that sizes of atomic clusters lie between 1.35nm similar to 1.85nm, which belongs to the range of MRO. It is shown from Bhatia-Thornton (BT) partial structural factor that the origin of prepeak should be attributed to the chemical-range ordering(CRO) and topological-range ordering(TRO) in the system. The pair distribution function with BT modality also approves that there exists strong chemical ordering in the liquid Cu3Au alloy, and indicates the preference for like-neighbor bonds in the liquid.

引用

页码：455 / 459

页数：5

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