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The effect of ageing process at 1073.15 K on the athermal phase transformation in different nanograins (4.5, 6 and 9 nm) of Nickel–Titanium shape memory alloy is studied using molecular dynamics simulations. The martensitic transformation start temperature and transformed martensite volume decrease with decreasing grain size. The two-stage phase transformation with intermediate phase formation is observed only in the smallest grain (4.5 nm) where a single martensite variant is formed. On the contrary, larger grains show a self-accommodated twinned martensite variants with one-stage transformation from austenite to martensite. The ageing process hardly influences the morphology of the martensite phase, however, it rises the martensite start temperature and reduces the austenite start temperature. The nano grain size models demonstrate the constrained transformation due to the transformation barrier and the accumulation of internal stress, while the ageing process shows the tendency for stress relaxation. [ABSTRACT FROM AUTHOR]

• Elastic properties of Marval X12 and FeCrNiC steels calculated from DFT. • The main effect of C on elastic constants is due to symmetry change. • 3D phase field model predicts a change from lath to mixed martensite morphology. The effect of the carbon concentration on the elastic properties and martensitic microstructure of Marval X12 steel is studied using first principles calculations and phase-field simulations. The density functional theory (DFT) results predict almost no changes of the elastic moduli with an increase of C content. However, there is a sizeable change of the elastic constants due to cubic to tetragonal martensitic transformation. The elastic constants are used as input data for the 3D elastoplastic phase-field model to study the martensitic microstructure evolution in Marval X12 steel. The results, showing that lath martensite is formed in this steel, are in agreement with experiments. With increasing carbon concentration, we observe formation of mixed morphology predominantly composed of martensite laths and some martensite plates. Our results also suggest that different combinations of martensite variants are formed with increasing carbon content. [ABSTRACT FROM AUTHOR]

Abstract: We present a 3D elastoplastic phase-field model to study the martensite formation in stainless steels under transient loading. Linear isotropic strain hardening is considered. Our results show that various combinations of martensite variants, which minimize the mechanical energy and maximize the net available driving force, are favored under different transient loading directions. The mechanical properties of steels under transient loading depend on the direction of loading. The areas where the load is applied, i.e. the grain boundaries, become favorable martensite nucleation sites. [Copyright &y& Elsevier]

[Display omitted] A 3D elastoplastic phase-field model is used to study the effect of isochronal heating on martensitic transformation in stainless steel quenched to cryogenic temperature. The results show that the slower the heating, the larger is the martensite volume fraction developed on heating. The simulated microstructures show that the transformation is driven by autocatalysis during the early stages and by coarsening of existing martensite units during later stages of the transformation. The internal stresses are mainly relaxed by autocatalysis during the initial stages of the transformation, whereas they are relaxed by plastic deformation during the later stages of the transformation. The temperature for attaining a certain martensite fraction increases with increasing heating rate, which is consistent with a thermally activated transformation. Kissinger-like analysis of the simulated transformation curves provides an activation energy of 11.9 kJ/mol. [ABSTRACT FROM AUTHOR]