A multiscale approach for the deformation mechanism in pearlite microstructure: Atomistic study of the role of the heterointerface on ductility

The role of the ferrite/cementite heterointerface on the mechanical properties of heavily-drawn-pearlitic steel is investigated via tensile deformation tests of multilayered composite models with brittle and ductile virtual materials in a two-dimensional triangle-lattice system by using molecular dynamics simulations. The interface strength is controlled by introducing a heterointerface potential. The dominant role of heterointerface on the mechanical properties of multilayered composite models is influenced by the interface strength. In case of weak interface strength, the heterointerface acts as a strong barrier to dislocation motion in the ductile phase; hence, the multilayered composite model shows high strength but extremely low ductility. This tendency corresponds well to that of as-drawn pearlitic steel with cementite decomposition. In case of strong interface strength, the heterointerface acts as a dislocation source of the brittle phase by dislocation transmission through the heterointerface from the ductile to brittle phase; hence, the multilayered composite model shows good ductility with a small decrease in strength. This tendency corresponds well to annealed pearlitic steel recovered from cementite decomposition. These results suggest that cementite decomposition decreases the plastic deformation potential of the heterointerface. The conditions necessary for the heterointerface to simultaneously exhibit high strength and ductility are discussed on the basis of the results of atomic simulations.