Medium-range order in Al-based liquid binary alloys

被引：37
|
作者：
Roik, O. S. [1 ]
Samsonnikov, O. V. [1 ]
Kazimirov, V. P. [1 ]
Sokolskii, V. E. [1 ]
Galushko, S. M. [1 ]
机构：
[1] Taras Shevchenko Kyiv Natl Univ, Dept Chem, UA-01033 Kiev, Ukraine
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2010年 / 151卷 / 01期
关键词：
Liquid alloys; X-ray diffraction; Prepeak; Reverse Monte Carlo method; Voronoi and Delaunay tessellations; REVERSE MONTE-CARLO; QUASI-CRYSTALS; NI; CO; INTENSITIES;
D O I：
10.1016/j.molliq.2009.11.001
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A short-to-intermediate range order of liquid Al-Cu binary alloys has been studied by X-ray diffraction and the reverse Monte Carlo modeling. The comprehensive analysis of three-dimensional models of the liquid Al-TM (TM =Co. Ni. Cu) binary alloys has been performed by means of Voronoi-Delaunay method. The existence of a prepeak in the S(Q) function of the liquid alloys reached with Al is caused by a specific arrangement of 3d-transition metal atoms in dense packed polytetrahedral clusters. It has been found that the icosahedral short-range order in dense polytetrahedral clusters and chemical short-range order lead to the formation of the medium range order in the investigated melts. (C) 2009 Elsevier B.V. All rights reserved.
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页码：42 / 49
页数：8
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