【摘要】 异质形核是凝固领域的核心问题之一,界面共格对应理论无法解释金液滴异质形核过程中ZrC,TiC,TiN等基底的触媒作用优于TiO的现象。利用余氏“固体与分子经验电子理论”以及程氏“改进的TFD模型中表面电子密度相等的边界条件”,分析表明界面共格对应并不是有效触媒基底的本质要求;在Tillen静电作用理论基础上,建立了Au液凝固异质形核价电子模型与基底触媒效用判据,据此分析了ZrC,TiC,TiN,TiO基底对Au液滴异质形核的触媒效用,与实验结果吻合。更多还原

【Abstract】 Heterogeneous nucleation is one of the key topics in the field of solidification. The interface lattice misfitting theory cannot be used to explain that ZrC, TiC, TiN, as catalyzer, are better than TiO during heterogeneous nucleation of Au liquid. By employing Yu’s empirical electron theory of solids and molecules and Cheng’s improved TFD model expressing the equal electron density on the interfaces, it is shown that the interface lattice fitting does not play the key role in catalysis. Basing on Tillen’s electrostatic effect theory, a valence electron model on heterogeneous nucleation of Au liquid is proposed. Meanwhile, a criterion for estimating the catalysis is derived. The theoretical model and criterion are used to analyze the catalyses of ZrC, TiC, TiN and TiO in the process of Au solidification. The results are well agreement with the experiments.更多还原