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Detailed Reference Information |
Huang, L., Skorodumova, N.V., Belonoshko, A.B., Johansson, B. and Ahuja, R. (2005). Carbon in iron phases under high pressure. Geophysical Research Letters 32: doi: 10.1029/2005GL024187. issn: 0094-8276. |
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The influence of carbon impurities on the properties of iron phases (bcc, hcp, dhcp, fcc) has been studied using the first-principles projector augmented-wave (PAW) method for a wide pressure range. It is shown that the presence of ~6 at. % of interstitial carbon has a little effect on the calculated structural sequence of the iron phases under high pressure. The bcc → hcp transition both for pure iron and iron containing carbon takes place around 9 GPa. According to the enthalpies comparison, the solubility of carbon into the iron solid is decreased by high pressure. The coexistence of iron carbide (Fe3C) + pure hcp Fe is most stable phase at high pressure compared with other phases. Based on the analysis of the pressure-density dependences for Fe3C and hcp Fe, we suggest that there might be some fraction of iron carbide present in the core. |
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Abstract |
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Keywords
Mineral Physics, Elasticity and anelasticity, Mineral Physics, Equations of state, Mineral Physics, High-pressure behavior, Geochemistry, Composition of the core |
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Publisher
American Geophysical Union 2000 Florida Avenue N.W. Washington, D.C. 20009-1277 USA 1-202-462-6900 1-202-328-0566 service@agu.org |
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