Abstract:According to the self-consistent bond length difference (SCBLD) method based on the empirical electron theory of solids and molecules, namely the Yu Ruihuang electron theory, the valence electron structure parameters (VESPs) were calculated to characterize the properties of alloy phases, and to investigate the influence of alloying elements (Al, Sn, Ti, Hf, V, Mo, Nb, Cu, Fe, Cr, Ni, Pd, and Re) on the phase transformation temperature of zirconium alloys. The results show that the sum of cohesive energy () and the cohesive energy difference () of α and β phases can be used to characterize the effect of alloying elements on the phase transformation temperature of zirconium alloys. After dissolution into the zirconium matrix, the alloying elements (Cr, Al, Sn, Fe, Cu, Ni, and Ti) with smaller can inhibit the α→β phase transformation and increase the phase transformation temperature. However, the elements dissolved into the zirconium matrix, such as Hf, V, Mo, Pd, Nb, and Re, can promote the α→β phase transformation and reduce the phase transformation temperature because of the larger . In the phase transformation process of zirconium alloys, the element (Al) with positive accelerates the β→α phase transformation and increases the phase transformation temperature; the elements (Cr, Sn, Fe, Cu, Ni, Ti, Hf, V, Mo, Pd, Nb, and Re) with negative Δ′C hinders the β→α phase transformation and decreases the phase transformation temperature. The α-stabilizers (Al) and the β-stabilizers (Mo, Nb, Re, V, Pd) can be explained by both the and , whereas the β-stabilizers (Cr, Fe, Cu, Ni, and Ti) can only be explained by . In addition, the α-stabilizers (Sn and Hf) can only be explained by .