Relative stability of phases of iron in the Earth's inner core
(English)Manuscript (preprint) (Other academic)
We have investigated the phase diagram of iron in a range close to the conditions inside the Earth’sinner core, using molecular dynamics with a semi–empirical, embedded atom interatomic potential.Our calculated melting curves for the body centered cubic (bcc) and hexagonal close packed (hcp)phases of iron are in good agreement with experimental and first–principles data. Interestingly ourmodel suggests evidence of a crossover in relative stability of these crystalline phases: the moststable phase being bcc below 315 GPa, and hcp above that point. The dependence of structuraland dynamical properties of crystallized iron on the temperature, at the pressure of the inner core,were determined.
IdentifiersURN: urn:nbn:se:kth:diva-11024OAI: oai:DiVA.org:kth-11024DiVA: diva2:234452
QC 201007082009-09-092009-09-082010-07-08Bibliographically approved