本文以一元合金奥氏体为研究对象,应用原子状态判定因子w来确定Fe-C-Me晶胞中各原子的杂化状态.分析结果表明,Fe-C-Me晶胞中Fe~C、Fe~f原子的杂化状态因Me原子的作用而与Fe-C晶胞中的Fe~C、Fe~f原子的杂化状态相比发生了改变,不同的Me原子使Fe~C、Fe~f原子的杂化状态发生改变的程度不同.在FeC-Cr晶胞中,Cr、Fe~C、Fe~f原子的杂化状态分别为A8(或A7)、B14和B15;在Fe-C-W晶胞中,w、Fe~C、Fe~f原子的杂化状态分别为C1(或X2)、B13和B14;在Fe-C-Si晶胞中,Si、Fe~C、Fe~f原子的杂化状态分别为A3(Al或C2)、B15和B16(或B17);而在Fe-C-Mn晶胞中,Mn、Fe~C、Fe~f原子的杂化状态则分别为C11、B14(或B13)和B15.
Atom state ascertainment factor (ε) is used to determine the hybridization states of atoms in Fe - C -Me unit cell of alloyed austenite. The calculation results show that the hybridization states of Fe~c and Fe~f atoms in Fe - C - Me unit cell are different from those in Fe - C unit cell because of the effect of Me atom. Different Me atoms make the hybridization states of Fe~c and Fe~f atoms change accordingly. The hybridization states of Cr, Fe~c and Fe~f atoms in Fe - C - Cr unit cell are A8 (orA7), B14 and B15, while those of W, Fe~c and Fe~f atoms in Fe -C - W unit cell are Cl (or C2) , B13 and B14, respectively. The hybridization states of Si, Fe~c and Fe~f atoms in Fe -C -Si are A3 (Al or A2) , B15 and B16(or B17) , respectively. As for Fe -C -Mn unit cell, the hybridization states of Mn, Fe~c and Fe~f atoms are C11, B14(or B13) and B15 respectively.
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