Effect of Orientation Relationships on the Stiffness and the Strength of the Dual-Phase Metals: Molecular Dynamics Simulation

Phase boundary is an important kind of interfaces for the dual-phase metals. Orientation relationship (OR) is a crucial factor affecting the performance of the phase boundaries and the dual-phase metals. Molecular dynamics simulation is performed to examine the structures of the bcc/fcc iron phase boundaries in Nishiyama–Wassermann (N–W) and Kurdjumov–Sachs (K–S) orientation relationships, and the performances of the dual-phase model with these ORs. The structural relaxation shows that the phase boundary with N-W relation has the lower energy than that in K-S relation. Stress-strain curves show that dual-phase model in N-W relation has the higher stiffness and strength than that in K-S relation. Simulation results show that phase boundary in N-W relation has a more exellent performance, and is preferred to be processed in heat treatment.