Nano-scale simulation of directional solidification in TWIP stainless steels: a focus on plastic deformation mechanisms

In this study, in order to understand the nanostructure of FeCrNi steels in the laser powder bed fusion (LPBF) process, directional solidification was simulated using largescale molecular dynamics simulation (LSMDS). For this purpose, an atomic box with a dimension of including random dispersion of Fe, Cr and Ni was created. Then, two different fixed temperatures were considered for the left and right side of the box during cooling from the liquid molten state. For evaluation of the uniformity in mechanical properties, uniaxial tensile tests were performed in the parallel and perpendicular directions. Extensive twinning induced plasticity (TWIP) occurred alongside Shockley partial dislocations (DLs) evolution in both directions, while different ultimate tensile strengths (UTS) were obtained as a sign of nonuniform tensile behavior. Different plastic deformation mechanisms at the nano-scale including stacking faults (SFs) interaction with each other/grain boundaries (GBs)/twin boundaries (TBs), formation of defective coherent twins (DCTs), dynamic Hall-Petch, shear stress gradient (back stress), and a new mechanism for dynamic recrystallization at room temperature are discussed in detail