M₂O₃-M'₂O₃系相图中间化合物熔点的计算机预报

来源期刊：中国有色金属学报1999年第2期

论文作者：吴铸 荔建锋 李重河 陈念贻

文章页码：395 - 397

关键词：氧化物系 相图计算 复氧化物

Key words：oxide system ; calculation of phase diagram ; complex oxide

摘    要：应用原子参数-人工神经网络研究了MM'O₃型的复氧化物的熔点与原子参数之间的关系，并利用已知样本集训练的人工神经网络对MM'O₃型复氧化物的熔点用“留一法”进行了预报，预报结果与实测值符合较好，误差一般小于5%。研究结果表明，选择适当的原子参数-人工神经网络算法可以用于M₂O₃-M'₂O₃系形成的MM'O₃型复氧化物的熔点的预报。

Abstract: ANN-atomic parameter method was used in investigating the regularity of the melting point of MM'O₃ type intermediate compounds. A method for the prediction of the melting points of MM'O₃ type intermediate compounds was proposed. And three atomic parameters of constituent elements, ionic radii R_i, electronegativity X, covalent radii R_c and the known melting points data of MM'O₃-type compounds were used to find a mathematical model for the melting point prediction, with ANN as the method of computation. The predicted results agree well with the experimental ones.