Effect of Rare Earth Ce on Structure and Properties in 7CrSiMnMoV Die Steel Castings

In this study, rare earth (RE) Ce is used to modify the interaction between atoms in 7CrSiMnMoV die steel castings. The tensile properties are performed, and strengthening mechanism are analyzed by investigated fracture surface, and microstructure by optical microscopy (OM) and scanning electron microscope‐energy dispersive spectrometer (SEM‐EDS). And ab initio molecular dynamics (AIMD) is used to simulate the effect of the Ce element on the local atomic structure of the FeCeC system alloy steel. The results indicate the strength can increase from 722.55 to 1074.27 MPa, and the elongation can increase from 24.86% to 44.22% with a RE Ce concentration of 0.009%. It is attributed to that doping of Ce can inhibit the formation of network eutectic cementite, refine the lamellar spacing of pearlite, and even form granular cementite and martensite structures. AIMD simulation results show that C atoms tend to be surrounded by Fe, and the strong chemical bonds of FeC make the Fe‐centered C more stable with an increase in RE Ce concentration. And doping Ce can introduce new local topological and chemical orderings such that the FeCFe triplets predominantly form small and big angles shifting from near 75° and 136° to 47° and 81°, respectively.