【作者】 姚莉秀； 何虎翼； 张俊； 陈念贻；

【Author】 Yao Lixiu, He Huyi, Zhang Jun, Chen Nianyi (Institute of Image and Pattern Recognition, Jiaotong Universi, Shanghai 200240, China;Department of Chemistry, Shanghai University, Shanghai 200444, China)

【机构】 上海交通大学图像处理与模式识别研究所； 上海大学理学院化学系；

【摘要】 三元合金系中间化合物种类繁多,晶体结构复杂,再加上各种晶体结构类型的所属样本数目相差很大,存在严重的样本不平衡现象,所以,如何预报其中间化合物的晶体结构类型是一种极具挑战性且具有很大难度的研究工作。本论文在以往有无三元合金系中间化合物生成的预报研究基础上,用多级投影等模式识别方法,对部分含有稀土金属元素的三元合金中间化合物的晶体结构类型进行了规律总结和预报,取得了很好的效果。更多还原

【Abstract】 There are great deals of ternary intermetallic compounds. And because of the different chemical and physical characteristic of every metal element, there exist a lot of crystal-type in ternary intermetallic compounds. It is significant to predict the crystal-type of every compound correctly. In this paper, based on the methods of computerized prediction of intermetallic compounds used in our previous works, the regularities of several crystal-type-formation of the rare earth containing ternary intermetallic compounds were found. The prediction results based on the mathematical models found were rather good.更多还原