269 citations · 1.1k across the 15 of their papers we have counts for
Showing cond-matShow all
2 papers · 1 filter
cond-mat1999
Thermodynamics of hexagonal-close-packed iron under Earth's core conditions
D. Alfe`, G. D. Price, M. J. Gillan
The free energy and other thermodynamic properties of hexagonal-close-packed iron are calculated by direct {\em ab initio} methods over a wide range of pressures and temperatures r…
cond-mat1999★ 269 cited
Structure and Dynamics of Liquid Iron under Earth's Core Conditions
D. Alfe`, G. Kresse, M. J. Gillan
First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynam…