Valence electron structure of γ-Fe unit-cell bearing alloy atoms and its influence on phase transformation of the alloy structural steel

The valence electron structure (VES) oft Fe unit-cell bearing alloy atoms was studied according to EET (the Empirical Electron Theory of Solids and Molecules). The result showed that the VES of γ-Fe unit-cell bearing alloy atoms was remarkably different from that of γ-Fe unit-cell. The hybridization states of Fe would go up, and the VES parameters (n_A, σ_N, ∑N_c, σ_N, etc.) increase in different degrees. An octahedron structure made up of stronger bonds formed in the cell, which could generate a drag-like effect in the course of phase transformation. A further investigation indicates that this octahedron structure can make the austenite more stable and delay martensitic transformation.