Study On Plane Valence Electron Structure And Hybridization States Of Atoms In Iron-carbon Alloys

Since professor Yu found the empirical electron theory of solids and molecules （EET）in1978, this theory is always been used in series of aspects about materials science andresearch, which made important significance for the development of new materials,meanwhile iron-carbon alloy material as the main metal is used in various industries widely.Guided on Yu’s EET theory and C-Me segregation theory put forward by Liu Zhilin,combined with the view about interface electron density continuity of Chen, based on theresearch of Unary iron-carbon alloy, the paper focused on the valence electron structure andhybrid state of the atoms of common alloyed elements in austenite and martensite, whichplayed an important role in developing new steels.For the valence electron structure and hybrid state of the atoms in austenite, based onanalyzing the valence electron structure in Fe-C crystal cell and Fe-C-Me crystal cell,considering the electron density difference between the （111） face of Fe-C crystal cell andthe （111） face of Fe-C-Mx-My crystal cell, the valence electron structure and hybrid stateof the atoms in the Fe-C-Mx-My crystal cell of alloyed austenite were investigated. Theresults showed that the hybridization states ofFe^C、Fe^f、W and Cr atoms in Fe-C-Cr-Wcrystal cell are B14（or B15）、B16、C47（or C5） and A7（or A8） respectively; Thosehybridization states ofFe^C、Fe^f、Ti and V atoms inFe-C-Ti-V crystal cell are B14、B16（or B15）、 B15（or B16or B14） and C13（or C14or C12） respectively; Thosehybridization states ofFe^C、Fe^f、Ti and V atoms in Fe-C-Ti-V crystal cell are B14、B16（orB15）、B15（or B16or B14） and C13（or C14or C12） respectively; Those hybridization statesofFe^C、Fe^f、Ni and Cu atoms in Fe-C-Ni-Cu crystal cell are B14、B16（or B15）、B13（orB12） and B10（or B11） respectively.For the valence electron structure and hybrid state of the atoms in martensite,according to the the definite orientation relationship:（111）γ//（110）αof the transformationfrom austenite to martensite, the electron density difference between the （111） face ofFe-C-Mx-My alloyed austenite and the （110） face of Fe-C-Mx-My alloyed martensite. Thefactor w is applied to ascertain the valence electron structure and hybrid state of atoms intwo elements alloy martensite. The results indicated that the hybridization states of Fe₂、Fe₃、Ti and Ni atoms in Fe-C-Ti-Ni crystal cell areA15、A14（orA13）、A11（orA12） andA15（or A16） respectively; those hybridization states of Fe₂、Fe₃、Mn and Cr atoms in Fe-C- Mn-Cr crystal cell are A15、A13（or A14）、A11（or A10） and A15（or A14） respectively;those hybridization states of Fe2、Fe3、Mn and Cr atoms in Fe-C-Mn-Ti crystal cell areA15、A14、A11（or A10） and A11（or A12） respectively.