金属－类金属非晶态合金的结构模型

Structure Model of Metal-Metalloid Amorphous Alloys

有模拟和计算的方法，确认了构成金属－类金属非晶态合金的菱面体单元结构（ＲＵＳ），并根据三条原则（类金属原子首先位于大八面体中心；除大八面体中心和其棱中心处的类金属原子之间可以存在一个类金属－类金属键外，其它位置处的原子之间不允许存在类金属－类金属键；同一成分，具有多种类金属原于排列方式时，取金属－类金属键最多的情况），找出了各种ＲＵＳ中类金属原子的可能分布位置、所对应的金属－类金属键数和类金属成分。建立了各种分布情况下，每个类金属原子平均所占金属－类金属键数与类金属含量的关系图。结果表明，菱面体单元结构只有８种形式，即（１：１），（２：１）…（８：１）ＲＵＳ，其成分范围（ａｔ％）分别为１５．０９～３０．１９，１２．５０～３０．００，１０．６７～３２．００，９．３０～２９．７７，８．２５～３２．１３，７．４１～３１．０５，６．７２～３０．１７和６．１５～２９．４４。平均键数最大值所对应的类金属含量（ａｔ％）分别为２７．１７，２５．００，２３．１７，２２．３３，２１．４４，２０．７４，２０．１７和１９．６９。

he rhombio unit structurests (RUS) of metal-metalloid amorphous alloys are affirmed by simulation and calculation, and the possible positions of metalloid atom,the corresponding numbers of the metal-metalloid bond and corn position of metalloid atom in various kinds of R U S are found on the basis of three hypotheses.The relation between the average number of metal-metalloid bond around one metalloid atom and the metalloid atom content in various distributions is established. The result indicate that R U S has only 8 different kinds of forms,i.e.(1: 1), (2:1) …… (8: 1 ) R US,their composition ranges of metalloid atoms are15.09～30.19,.12.50～30.00, 10.67～32.00, 9.30～29.77, 8.25～32.13, 7. 41～31 .05,6.72～30.17 and 6. 15～29.44 at% respectively,and the metalloid atomcontents corresponding to the maxim urn of the average number of metal-metalloid bond in each R U S are27.17, 25.00, 23.47, 22.33, 21. 44, 20. 74, 20.17 and 19.69at% respectively.