Dynamical stability of iron under high-temperature and high-pressure conditions

2012/03/01 by Lingti Kong, Junzhon Li, Qiwei Shi +2 · 3 citations
Earth and Planetary Sciences · Materials Science · Engineering · #High-pressure geophysics and materials #High-Velocity Impact and Material Behavior #Electromagnetic Effects on Materials

paper · doi:10.1209/0295-5075/97/56004

openalex publication_date 2012/03/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

The dynamical stability of iron under high-temperature and high-pressure conditions was investigated based on the phonons evaluated by using a recently developed method. It is revealed that both the fcc-Fe and the hcp-Fe are dynamically stable in a wide temperature and pressure range. The bcc-Fe phase can be stable as well, while in a limited temperature/pressure regime bounded by a dynamical stability limit and a harmonic limit. Direct evidence shows that it is the entropy term that plays a critical role in stabilizing the bcc-Fe under high-temperature and high-pressure conditions.

Citations

• Dynamical Theory of Crystal Lattices

Cited by

• Dynamic stability of Fe under high pressure
• An efficient ab-initio quasiharmonic approach for the thermodynamics of solids
• Iron [wikipedia]

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