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首页> 外文期刊>RARE METALS >Molten salt phase diagram evaluation by pattern recognition: Part Ⅰ Divalent rare earth halide and alkali metal halide binary systems
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Molten salt phase diagram evaluation by pattern recognition: Part Ⅰ Divalent rare earth halide and alkali metal halide binary systems

机译：通过模式识别评估熔盐相图：第一部分二价稀土卤化物和碱金属卤化物二元体系

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At present CALPHAD (CALculation of PHAse Diagram) technique is not capable of predicting whether there exists intermediate compound, much less predicting the formulae, the number, and the melting congruence of intermediate compounds. To solve this problem, a new approach called the phase diagram evaluation by pattern recognition (PDEPR) was improved. The micro-parameters, such as the radius and the electronegativity of the element, were used as original features and then they were transformed and spanned to the different features in multi-dimensional space. Then a set of classifying functions were obtained to predict the information of intermediate compounds in REX_2-AX systems (RE-rare earth element; A-Li, Na, K, Rb, and Cs; X-F, Cl, Br, and Ⅰ). It is comparatively important for the design of materials.
机译：目前，CALPHAD（PHHAse图的计算）技术无法预测是否存在中间化合物，更不能预测中间化合物的配方，数量和熔融全合。为了解决此问题，改进了一种新方法，称为通过模式识别进行相图评估（PDEPR）。将元素的半径和电负性等微参数用作原始特征，然后将其转换并扩展为多维空间中的不同特征。然后获得一组分类函数，以预测REX_2-AX系统中的中间化合物的信息（稀土元素; A-Li，Na，K，Rb和Cs; X-F，Cl，Br和Ⅰ）。对于材料设计而言，它相对重要。

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