奥氏体中Fe-C-Me晶胞原子杂化状态的确定

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FeC、Fef原子的杂化状态因Me原子的作用而与Fe-C晶胞中的FeC、Fef原子的杂化状态相比发生了改变,不同的Me原子使FeC、Fef原子的杂化状态发生改变的程度不同.在FeC-Cr晶胞中,Cr、FeC、Fef原子的杂化状态分别为A8(或A7)、B14和B15;在Fe-C-W晶胞中,W、FeC、Fef原子的杂化状态分别为C1(或C2)、B13和B14;在Fe-C-Si晶胞中,Si、FeC、Fef原子的杂化状态分别为A3(A1或C2)、B15和B16(或B17);而在Fe-C-Mn晶胞中,Mn、FeC、Fef原子的杂化状态则分别为C11、B14(或B13)和B15.

Determination of the hybridization states of atoms in Fe-C-Me unit cell of alloyed austenite

Atom state ascertainment factor ω is used to determine the hybridization states of atoms in Fe-CMe unit cell of alloyed austenite.The calculation results show that the hybridization states of Fecand Fef 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 Fec and Fef atoms change accordingly.The hybridization states of Cr,Fec and Fef atoms in Fe-C-Cr unit cell are A8(or A7) ,B14 and B15,while those of W,Fec and Fef atoms in Fe-C-W unit cell are C1(or C2) ,B13 and B14,respectively.The hybridization states of Si,Fec and Fef atoms in Fe-C-Si are A3(A1 or A2) ,B15 and B16(or B17) ,respectively.As for Fe-C-Mn unit cell,the hybridization states of Mn,Fec and Fef atoms are C11,B14(or B13) and B15 respectively.