The properties of iron under core conditions from first principles calculations

2003/10/11 by Lidunka Vočadlo, L Vočadlo, D Alfè +5 · 4 citations
Earth and Planetary Sciences · Physics and Astronomy · #Geological and Geochemical Analysis #High-pressure geophysics and materials #Theoretical and Computational Physics

paper · doi:10.1016/j.pepi.2003.08.001

openalex publication_date 2003/10/11 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/27

Citations

• The composition of the Earth
• From ultrasoft pseudopotentials to the projector augmented-wave method
• Melting, thermal expansion, and phase transitions of iron at high pressures
• Dynamical Theory of Crystal Lattices
• Composition and temperature of the Earth’s core constrained by combining ab initio calculations and seismic data
• Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
• Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
• Self-Consistent Equations Including Exchange and Correlation Effects

Cited by

• Pressure dependence of liquid iron viscosity from machine-learning molecular dynamics
• Effect of thermal conductivity on the simultaneous formation of a stable region at the top of Earth's core and magnetic field generation over four billion years
• Thermal evolution of the core with a high thermal conductivity
• Dynamo tests for stratification below the core-mantle boundary