Dynamic stability of Fe under high pressure

2014/12/03 by Kostadin G. Gaminchev, Hassan Chamati · 1 citation
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #High-pressure geophysics and materials #Microstructure and mechanical properties #Rare-earth and actinide compounds

paper · doi:10.1088/1742-6596/558/1/012013

openalex publication_date 2014/12/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29

Abstract

We study the dynamic stability of bcc iron at both high pressure and temperature via Molecular Dynamics in conjunction with three different interatomic potentials constructed within the embedded-atom method. We computed the phonon dispersions, the phonon density of states, as well as the radial distribution functions. It is found that these quantities exhibit different behaviours depending on the potential used. Furthermore it is revealed that the simulated sample remains dynamically stable over a wide range of temperature and pressure for all potentials.

Citations

• Fast Parallel Algorithms for Short-Range Molecular Dynamics
• Dynamical stability of iron under high-temperature and high-pressure conditions
• On the stability of crystal lattices. I

Cited by

• Iron [wikipedia]

Related

• Dynamical stability of iron under high-temperature and high-pressure conditions
• Thermal and structural properties of iron at high pressure by molecular dynamics
• Electronic Temperature-Driven Phase Stability and Structural Evolution of Iron at High Pressure
• Vibrational and thermoelastic properties of bcc iron from selected EAM potentials
• Thermal Induced Structural Competitiveness and Metastability of Body-centered Cubic Iron under Non-Equilibrium Conditions