Journey to the Centre of the Earth

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Inside the Earth

Understanding the Earth

Therefore iron is a hot topic!

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Experimental limitsÖ.

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The alternative to experiments isÖ.

What can simulations predict?

What does CMP Involve?

Potential Curve

What is to comeÖ

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What is the structure of Fe at core P and T?

Quality of the simulations

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Solid Iron

F of the harmonic solid

Results!

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The stable phase in the core is hcp

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Elastic Constants

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Calculated (dotted line) elastic properties compared with inelastic nuclear resonance X-ray scattering experiments (open circles; Mao et al., 2000) and all-electron calculations (dashed line; Steinle-Nemann,1999).

Liquid Fe and the anharmonic solid

Ab Initio Molecular Dynamics

Calculation Strategy for Tm

F of Liquid and Anharmonic Solid

So iron in the core is all sewn up Ö.or is it?!!

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Relative stability along Tm(P)

Stable?

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Summary

I have not failed 10,000 times, I have successfully found 10,000 ways that will not work. Thomas A. Edison

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Author: Dr Lidunka Vocaldo, l.vocadlo@ucl.ac.uk

Other information:
This presentation is reproduced with the permission of Lidunka Vocaldo, University College London.

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Journey to the Centre of the Earth

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