Medium-range order in Al-based liquid binary alloys
Medium-range order in Al-based liquid binary alloys
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DOI：
10.1016/j.molliq.2009.11.001
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发表时间：
2010-01
影响因子：
6
通讯作者：
O. Roik;O. Samsonnikov;V. Kazimirov;V. Sokolskii;S. M. Galushko
中科院分区：
文献类型：
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作者：
O. Roik;O. Samsonnikov;V. Kazimirov;V. Sokolskii;S. M. Galushko
用X射线衍射和反向蒙特卡罗模拟方法研究了Al-Cu二元合金液态体系的短程有序。用Voronoi-Delaunay方法对液态Al-TM（TM=Co，Ni，Cu）二元合金的三维模型进行了综合分析。用Al达到的液态合金的S（Q）函数中预峰的存在是由致密填充的四面体簇中3d过渡金属原子的特定排列引起的。结果表明，在致密的多四面体团簇中的二十面体短程有序和化学短程有序导致了所研究熔体中中程有序的形成。
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.