This paper calculates the electron structures of phase of FeS, MnS and their biphase interface electron structures with austenite in steel. The precipitation and the transformation of FeS and MnS are investigated through studying the valence electron pair numbers on the strongest bond n A with the structure formation factor S. The continuity of electron density and its relation with stress are explored in the biphase interfaces with the electron density difference απ Using n A, S, απ we explain the reason why FeS can bring about hot brittleness in steel and the physical mechanism why MnS may eliminate or inhibit hot brittleness, based on which satisfying results are obtained by calculating several rare-earth sulfides.
LIU Yan1,3, LIU Zhilin1, ZHANG Chengwei1,2 & ZHOU Yingchun1 1. Liaoning Institute of Technology, Jinzhou 121001, China
基于余氏固体与分子经验电子理论(EET)和程氏改进的 TFD 理论提出了计算双相 TiAl 合金层片状结构α2/γ界面电子结构的计算模型与方法,计算了含常用合金元素的单相 TiAl 合金与双相 TiAl 合金中的异相界面的电子结构,利用界面电子结构给出的信息?界面结合因子ρ, ?ρ, σ,以合金元素 Mn 为例初步分析讨论了双相 TiAl 合金层片状结构增加韧性的微观机制。
Taking the hot working die steel （HWDS） 4Cr3Mo2NbVNi as an example, the phase electron structures （PES） and the biphase interface electron structures （BIES） of Mo2C and V4 C3 , which are two kinds of important carbides precipitated during tempering in steel were calculated, on the basis of the empirical electron theory of solids and molecules and the improved TFD theory. The influence of Mo2 C and V4 C3 on the mechanical properties of HWDS has been analyzed at electron structure level, and the fundamental reason that the characteristic of the PES and the BIES of carbides decides the behavior of them has been revealed.
