若干功能材料性能优化建模方法研究

通过对稀土荧光粉，ＶＰＴＣ材料，镍氢电池阴极材料的优化建模计算，研究和比较了线性ＰＬＣ方法，加非线性项的ＰＬＣ方法和加非线性项的ＰＬ－ＳＡＮＮ方法建模的效果。结果表明：当材料，性能和影响性能的因子间非线性较为严重时，加非线性项的ＰＬＳ－ＡＮＮ方法建模的效果较好，其预测结果和实测结果相当符合。

MODEL BUILDING METHODS FOR OPTIMAL MATERIALS DESIGN OF FUNCTIONAL MATERIALS

Using the data of rare earth containing phosphors, VPTC materials and cathode materials of Ni/H batteries as examples, the modeling methods of linear PLS method, PLS method with non linear terms, and non linear PLS ANN method are investigated by comparison of their effectiveness in optimization of material design. Results show that when non linear relationship between the material properties and the influential factors is obvious, non linear PLS ANN method is more suitable for model building. Their calculated values are in agreement with the experimental values.