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Me-Me′-X系三元化合物形成规律的判别分析和遗传算法研究
Genetic Algorithm and Discirminant Analysis Applied to the Regularity of Formation of Ternary Compounds in Me-Me′-X Halide Systems
【Author】 Li Jianfeng Li Chonghe Wang Shihua Chen Nianyi (Shanghai Institute of Metallurgy,CAS,Shanghai,200050) *(Beijing Normal University,Beijing,100081)
【机构】 中国科学院上海冶金研究所; 北京师范大学;
【摘要】 本文用原子半径和元素电负性作为基本判别参数,203个可信的Me-Me′-X三元卤化合物的形成情况作为研究对象,利用遗传算法对其进行了非线性判别分析,总结了Me- Me′-X系三元化合物的形成规律,提出了形式简单的判别函数。并用差热分析和粉末X射线法测定了五个未知化合物的相图,证明了判别函数的正确性。
【Abstract】 A genetic algorithm (GA) is used to take a non-linear discriminant analysis of 203 Me-Me′-X halides samples with the radii of the irons and the electronegativits of the elements as the basic discrnant parameters.The regularity of the formation of these samples has been investigated and a discriminant function also has been obtained.The formation of complex iodides in M-Eu-I systems (where.M represents Li.Na.K.Rb or Cs) is predicted by this discriminant function.The predicted results are completely in agreement with the experimental facts.
【Key words】 ternary compounds; phase diagram; computer prediction; GA;
- 【会议录名称】 第九届全国相图学术会议论文集
- 【会议名称】第九届全国相图学术会议
- 【会议时间】1997-10
- 【会议地点】中国北京
- 【分类号】O642.42
- 【主办单位】中国物理学会相图专业委员会