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利用“固体与分子经验电子理论”的BLD方法建立了Fe-C马氏体的价电子结构。碳原子连同其第1、2、3近邻Fe原子构成的小块形成含碳价电子结构单元;相应的不含碳的小块构成不含碳价电子结构单元,两者混乱分布构成马氏体晶体。对1.7wt-％C马氏体得出:含碳结构单元内Fe_Ⅰ,Fe_Ⅱ,Fe_Ⅲ分别在甲种杂化第11,10,8各阶,碳在第6阶;不含碳结构单元内Fe在甲种杂化第8阶。含碳结构单元内n_A=0.9991,n_B=0.8479;不含碳结构单元内n_A,n_B日与α-Fe相同。不同含碳量马氏体中只是两类结构单元相对数量不同。比较两类结构单元的n_A和n_B,立即看出马氏体硬度随含碳量增加而提高,这与实验事实一致。
The valence electron structure of Fe-C martensite was established by using BLD method of “solid and molecular empirical electron theory”. The carbon atoms together with the first, second and third neighboring Fe atoms form a carbon-containing electronic structure unit; the corresponding non-carbon-containing small structure constitutes a carbon-free electronic structure unit, Crystal. For 1.7 wt-% C martensite, it is concluded that Fe_Ⅰ, Fe_Ⅱ and Fe_Ⅲ in carbon-containing structural units are in the 11th, 10th and 8th stages respectively, while carbon is in the sixth order. Fe A hybrid hybrid 8th order. N-A = 0.9991, n_B = 0.8479 in the carbon-containing structural unit; n_A in the carbon-free structural unit; Different carbon content of martensite is only two types of structural units relative number is different. Comparing the n_A and n_B of the two types of structural units, it can be seen immediately that the hardness of martensite increases with the increase of carbon content, which is consistent with the experimental fact.