scholarly journals Ab initio simulations of iron–nickel alloys at Earth's core conditions

2012 ◽  
Vol 345-348 ◽  
pp. 126-130 ◽  
Author(s):  
Alexander S. Côté ◽  
Lidunka Vocˇadlo ◽  
John P. Brodholt
Keyword(s):  
Ab Initio ◽  
Nickel Alloys ◽  
Earth’S Core ◽  
Earth's Core ◽  
Ab Initio Simulations ◽  
Iron Nickel ◽  
Core Conditions ◽  
Iron Nickel Alloys

scholarly journals New high-pressure phases of Fe7N3 and Fe7C3 stable at Earth's core conditions: evidences for carbon–nitrogen isomorphism in Fe-compounds

RSC Advances ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 3577-3581 ◽  
Author(s):  
Nursultan Sagatov ◽  
Pavel N. Gavryushkin ◽  
Talgat M. Inerbaev ◽  
Konstantin D. Litasov
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ab Initio ◽  
Structure Prediction ◽  
Harmonic Approximation ◽  
Crystal Structure Prediction ◽  
Earth’S Core ◽  
Earth's Core ◽  
Core Conditions

We carried out ab initio calculations on the crystal structure prediction and determination of P–T diagrams within the quasi-harmonic approximation for Fe7N3 and Fe7C3.

Sign in / Sign up

Export Citation Format

Share Document