摘要
基于"固体与分子经验电子理论",计算了AlP结构单元的价电子结构,通过与Si相结构单元的最强键上的电子对数比较后认为,当过共晶铝硅合金经过磷变质处理后,在熔体中生成的AlP粒子具有与初生Si相相似的晶体结构及电子空间分布、晶格常数的错配度较小,且具有相对较小的nA值,从而在凝固过程中首先析出,作为初生Si相的异质核心而提高了Si相的形核率。计算结果支持了AlP作为异质核心的观点。
On the basis of empirical electron theory of solid and molecules(EET),the valence electron structure(VES)of AlP and Si unite cell were calculated.Through comparing with the parameters of valence electron structure,it is concluded that the reaction of pure P atom or phosphide with Al atom in Al-Si molten can generate AlP particle which exhibits f.c.c structure and distribution of electron space similar to primary Si phase and low mismatching degree between AlP and Si unit as well as smaller nA value,so the AlP phase is prior to precipitating during the solidification to as heterogeneous nuclei of primary Si phase,increasing nucleation rate of primary Si phase.Calculated results confirm the theory of AlP phase as heterogeneous nuclei.
出处
《特种铸造及有色合金》
CAS
CSCD
北大核心
2009年第2期179-180,共2页
Special Casting & Nonferrous Alloys
基金
辽宁省科技厅博士科研启动基金(20081097)
