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合金元素在固溶体中以C—Me形式呈短程有序偏聚分布的理论研究近年来取得了一定进展.这一理论已从电子探针和Mossbauer谱等实验中得到了证明.本文采用EET理论对高锰钢的价电子结构进行计算,并结合我们近期的研究结果,试图从电子层次上揭示高锰钢异常高的奥氏体稳定性、冲击韧度、加工硬化能力和抗冲击耐磨性等特性的本质原因.1 高锰钢的价电子结构高锰钢(C原子质量分数为1.2%,Mn原子质量分数为12%)奥氏体是由C原子溶入面心立方结构的γ-Fe的八面体间隙,Mn原子置换Fe原子而形成的Fe—Mn—C合金固溶体.计算表明,平均约3～4个奥氏体晶胞中含有1个C原子,2个奥氏体晶胞中含有1个Mn原子.M(?)ssbauer谱测定结果证明,高锰钢中含C奥氏体占35%,无C奥氏体占65%.电子探针分析结果证明,C,Mn原子在高锰钢奥氏体中均呈微观不均匀分布,且富C处亦富Mn,贫C处亦贫Mn.按文献[4,5]的思想和上述结果可以认为,高锰钢奥氏体是由不含C晶胞、含C晶胞和含C—Mn晶胞堆垛而成.利用余瑞璜的固体与分子经验电子理论计算得到的各类晶胞的价电子结构主要数据汇总于表1.其中C—C、Fe—Fe、Fe—Mn原子之间的最大共价电子对数n_A值均在0.0053～0.3299之间.由计算结果可见,在所有原子组合当中,C—Mn(n_A~(C—Mn=1.2078)和C—Fe~f(n_A(C—F
In recent years, some progress has been made in theoretical studies on the distribution of alloying elements in the form of C-Me in the form of C-Me, which has been proved by the experiments of electron probe and Mossbauer spectroscopy.In this paper, The calculation of the valence electron structure of high manganese steel, combined with our recent research results, attempts to reveal the abnormally high austenite stability, impact toughness, work-hardening ability and impact resistance and wear resistance of high manganese steel from the electronic level The nature of the characteristics.1 The valence electron structure of high manganese steel High manganese steel (C atomic mass fraction of 1.2%, Mn atomic mass fraction of 12%) austenite is C atoms into the face-centered cubic structure of γ-Fe Of the octahedral interstitial Mn atoms Fe Fe-Mn-C alloy solution formed by the calculation shows that an average of about 3 to 4 austenite unit cells containing a C, two austenite unit cells The results of M (?) Ssbauer spectroscopy show that the high manganese steel contains 35% of austenite and 65% of non-C austenite.Electron probe analysis results show that C, Mn atoms in High manganese steel austenite are microscopic uneven distribution, and rich in C also rich Mn, poor C also poor Mn. According to the literature [4,5 ] And the above results can be considered, high-manganese steel austenite is composed of non-C unit cells, C unit cells and C-Mn unit cell stack made by the use of Eurasian solid and molecular empirical electronic theory calculated The main data of the valence electron structure of various types of unit cell are summarized in Table 1. Among them, the maximum value of covalent electron logarithm n_A between C-C, Fe-Fe and Fe-Mn atoms is between 0.0053 and 0.3299 As a result, C-Mn (n_A ~ (C-Mn = 1.2078) and C_Fe ~ f (n_A