摘要
运用原子参数-支持向量机算法(SupportVectorMachine,SVM)和熔盐相图智能数据库技术,研究了白钨矿型钼酸盐、钨酸盐和含稀土钼酸盐、钨酸盐形成异价固溶体的条件,建立了碱金属-稀土钼酸盐和钨酸盐的晶型以及这些化合物与稀土钼酸盐或钨酸盐形成连续固溶体的判据,并求得这类化合物的晶胞参数的计算式。计算表明:各组分元素的离子半径和电负性是影响固溶体形成、晶型和晶胞参数的主要因素。根据本文所得经验式估计TlPr(MoO4)2-Pr2(MoO4)3系固溶体情况与实测结果一致。
The regularities of the solid solutions between the scheelite-type compounds and rare earth molybdates or tungstates were investigated by the atomic parameter-support vector machine method and the intelligent database of phase diagrams of molten salt systems. The crystal structure of scheelite-type compounds having M^IM′~Ⅲ(XO_4)_2 (X=Mo, W) as common formula and the formability of the continuous solid solution between these compounds and rare earth molybdates or tungstates were also investigated. Besides, t...
出处
《中国稀土学报》
CAS
CSCD
北大核心
2005年第4期501-504,共4页
Journal of the Chinese Society of Rare Earths
基金
国家自然科学基金(20373040)
上海市教委项目(214347)资助
关键词
白钨矿结构
固溶体
原子参数-支持向量机算法
相图智能数据库
稀土材料设计
scheelite-type structure
solid solution
support vector machine (SVM)
intelligent data base of phase diagrams
rare earth materials design