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计算了常用合金元素在铸铁相中的价电子结构。取相结构中最强共价键的键能为结构形成因子“S”,揭示了合金元素原子的电子结构与平衡凝固、非平衡凝固及石墨化的关系。以石墨的结构形成因子及渗碳体最强共价键上的n~A为临界值,提出了合金元素石墨化行为的判据。将此判据用于常用的合金元素,发现理论与实际符合得极好。
The valence electron structures of common alloying elements in cast iron phase were calculated. The bond energy of the strongest covalent bond in the phase structure is the formation factor “S” of the structure, revealing the electronic structure of alloying elemental atoms in relation to equilibrium solidification, non-equilibrium solidification and graphitization. Taking the formation factor of graphite and n ~ A as the critical value of the strongest covalent bond of cementite, the criterion of graphitization behavior of alloying elements was proposed. Applying this criterion to common alloying elements, it is found that the theory is in good agreement with reality.