Effects of temperature and point defects on the stability of C15 Laves phase in iron: A molecular dynamics investigation
Wang Hao1, 2, Gao Ning3, †, Lü Guang-Hong1, Yao Zhong-Wen2, ‡
       

(color online) Phase transformations of C15 Laves phase containing (a) a vacancy and (b) an SIA, calculated with the A04 potential.[20] Atomic projections are on the basal (XY) plane. [(a1) and (b1)] Initial states after relaxation at time zero. [(a2)–(a4)] and [(b2)–(b4)] Structural evolutions at 300 K, (a4) and (b4) final BCC lattice structures containing vacancies or vacancy clusters.