Body-centered-cubic to face-centered-cubic phase transformation of iron under compressive loading along [100] direction

Phase transformation of iron nanoplate and bulk under compressive loading along [100] direction is investigated by using the molecular dynamic simulation method. The simulation results show that the iron nanoplate undergoes body-centered-cubic to face-centered-cubic phase transformation; while iron bulk undergoes bodycentered-cubic to hexagonal close-packed phase transformation. The two different phase transformation modes can be attributed to the free surface-induced stress effect of the nanoplate. By applying additional lateral stress, the iron bulk also transforms into face-centered-cubic phase. Moreover, the body-centered-cubic to face-centered-cubic phase transformation is further studied in term of elastic stability theory; it is found that the theoretical results are consistent with the simulation results very well. Therefore, it can be concluded that body-centered-cubic to face-centered-cubic phase transformation can be realized under both tensile and compressive loading along [100] direction.

Automated summary

The phase transformation of iron nanoplate and bulk under compressive loading along [100] direction was studied using molecular dynamic simulation. Results showed that the iron nanoplate transformed from body-centered-cubic to face-centered-cubic phase, while the iron bulk transformed from body-centered-cubic to hexagonal close-packed phase. The different phase transformation modes were attributed to the free surface-induced stress effect on the nanoplate, and additional lateral stress could induce a face-centered-cubic phase transformation in the iron bulk. The theoretical and simulation results for body-centered-cubic to face-centered-cubic phase transformation were found to be consistent, suggesting that this transformation can occur under both tensile and compressive loading along [100] direction.