NDLI: Iron at earth-core conditions

Content Provider	Springer Nature Link
Author	Modak, P. Verma, A. K. Rao, R. S. Godwal, B. K. Jeanloz, R.
Copyright Year	2006
Abstract	We have carried out electronic structure calculations for iron under high pressure using pseudopotential plane wave methods. There is a controversy regarding the structure of iron at moderate pressures (30–100 GPa) and temperatures (1000–2400 K), with different experiments suggesting different structures, such as orthorhombic, double hexagonal close packed (dhcp), etc. Our earlier calculations using the linear muffin-tin orbital method within atomic-sphere-approximation had argued against the stability of the orthorhombic phase. The more accurate calculations presented here predict qualitatively the same results. We have additionally studied the stability of various phases of Fe at different compressions by calculating phonon frequencies. These rule out the stability of the orthorhombic phase. To validate our zero-temperature electronic-structure results at finite temperature, we have compared the shock Hugoniot and melting properties of iron with the results of our electronic structure calculations. Though we have used simplified models for these estimates, our predictions compare well with the experimental data. We thus propose that these models can be used to obtain the information about the high-pressure melting curves of planetary materials.
Starting Page	1523
Ending Page	1527
Page Count	5
File Format	PDF
ISSN	00222461
Journal	Journal of Materials Science
Volume Number	41
Issue Number	5
e-ISSN	15734803
Language	English
Publisher	Kluwer Academic Publishers
Publisher Date	2006-03-04
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Polymer Sciences Materials Science Characterization and Evaluation Materials Mechanics Continuum Mechanics and Mechanics of Materials Crystallography
Content Type	Text
Resource Type	Article
Subject	Ceramics and Composites Mechanics of Materials Mechanical Engineering Polymers and Plastics

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