Pressure-induced Structures and Structural Evolution in Iron

Materials Research

Li Qi¹  Shidong Feng¹  Na Xu¹  Mingzhen Ma¹  Qin Jing¹  Gong Li¹  Riping Liu¹ 

关键词: molecular-dynamics;    pressure;    iron;    structure;   

DOI  :  10.1590/1516-1439.327014

来源: SciELO

【 摘 要 】

Molecular-dynamic simulations have been used to study the structure evolution in iron melts rapidly cooled under different pressures. An extreme cooling rate (4×1012K/s) was adopted in the cooling process. The simulation results show that at the ambient pressure, martensitic transformation happened. However, at a pressure of 1.4GPa, the system passes from bcc structure to a less closed packed structure which is composed of both full icosahedra clusters and bcc structure. With the increase of pressures, an amorphous state was observed, and a compacted local structure with more defected icosahedra is obtained. This work contributes to a better understanding about the dynamics of phase transitions in iron under high pressure, especially during the extremely fast cooling process.

【 授权许可】

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