This study employs 3D molecular dynamics simulations to investigate deformation-induced martensitic transformation (DIMT) in both chemically homogeneous and heterogeneous austenite grains, with particular emphasis on the distinctive role of chemical boundaries. Our findings reveal three fundamental differences between chemical boundaries and conventional interfaces: (i) they do not serve as nucleation sites for martensite formation, (ii) they effectively arrest propagating martensite, yet (iii) they exhibit negligible influence on stacking fault transmission. In the Fe-Ni model system, we demonstrate that DIMT behavior in compositionally graded core-shell austenite grains is predominantly governed by local Ni concentration, where increased Ni content significantly enhances phase stability. These insights demonstrate that precisely engineered chemical heterogeneities offer an effective pathway for controlling DIMT behavior, providing a novel paradigm for designing next-generation steels containing retained austenite with tunable mechanical properties.

Mo is widely used as an effective microalloying element to improve mechanical performance of interphase precipitation steels, but the precise role of Mo in interphase precipitation behavior is not fully understood. In this contribution, interphase precipitation behavior in a series of Ti-Mo-bearing low carbon steels is systematically studied, and the role of Mo in interphase precipitates and its coarsening behavior is revisited. It is found that (Ti, Mo)C precipitates instead of TiC are formed in the Mo-containing alloys, and the average site fraction of Mo in (Ti, Mo)C is almost independent of the bulk Mo content. Moreover, the number density of interphase precipitates can be substantially enhanced by a minor addition of Mo, albeit it does not further rise with increasing the bulk Mo content. This is because the Mo fraction in (Ti, Mo)C rather than the bulk Mo content governs the driving force for precipitation nucleation and the interfacial energy of the (Ti, Mo)C/α and (Ti, Mo)C/γ interfaces. In addition to the reduced interfacial energy, decrease of Ti trans-interface diffusivity has been identified as another key reason for the enhanced carbide coarsening resistance in Mo-containing alloys.

The interaction between moving α/γ interfaces and interphase precipitated (IPd) carbides during the austenite (γ) to ferrite (α) and the ferrite (α) to austenite (γ) transformation has been systematically investigated through cyclic phase transformation experiments for a 0.1C-1.5Mn alloy containing 0.1 wt% Niobium (Nb) and its Nb-free counterpart. Shifts in the critical reaction temperatures during continuous heating and cooling are observed, which are attributed to the pinning force (PF) originating from the IPd carbides present. By applying the Gibbs energy balance (GEB) model to analyze experimental results, the PF was derived to be about 15 J/mol for the α→γ transformation and about 5 J/mol for the γ→α transformation, respectively, both of which are quite small compared to chemical driving force of phase transformations. Moreover, various modified Zener pinning equations have also been used to predict the PF, and it was found that these values are comparable with those obtained from experiments, which suggests that the classical Zener theory still has promising potential for carbide-interface interaction analysis.