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Iron and its alloys under high pressure
Linköping University, The Institute of Technology. Linköping University, Department of Physics, Chemistry and Biology, Theoretical Physics .
2008 (English)In: International Alloy Conference,2008, Linköping, Sweden: Linköpings University , 2008Conference paper (Refereed)
Abstract [en]

Cosmochemical, geochemical, and geophysical studies indicate that Earth's core contains iron with substantial (5 to 15%) amounts of nickel. We address structural properties of pure and nickel-doped iron from both first-principles theory and experiment. In particular we show that the face-centered cubic (fcc) phase may become as stable as the hexagonal close-packed (hcp) phase at pressures around 300-360 GPa and temperatures around 5000-6000 K, corresponding to the Earth's core conditions. Our temperature-quenched experiments indicate that the face-centered cubic (fcc) phase of pure iron can exist in the pressure-temperature region above 160 GPa and 3700 K. Further, we show that at pressures above 225 GPa and temperatures over 3400 K, Fe0.9Ni0.1 alloy adopts the body-centered cubic (bcc) structure

Place, publisher, year, edition, pages
Linköping, Sweden: Linköpings University , 2008.
National Category
Natural Sciences
URN: urn:nbn:se:liu:diva-44826Local ID: 77782OAI: diva2:265688
Available from: 2009-10-10 Created: 2009-10-10

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Simak, Sergey
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The Institute of TechnologyTheoretical Physics
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