Home

About

Advanced Search

Browse by Discipline

Scientific Societies

E-print Alerts

Add E-prints

E-print Network
FAQHELPSITE MAPCONTACT US


  Advanced Search  

 
Z .Physics of the Earth and Planetary Interiors 117 2000 123137 www.elsevier.comrlocaterpepi
 

Summary: Z .Physics of the Earth and Planetary Interiors 117 2000 123­137
www.elsevier.comrlocaterpepi
Ab initio free energy calculations on the polymorphs of iron at
core conditions
Lidunka Vocadlo a,)
, John Brodholt a
, Dario Alfe a
, Michael J. Gillan b
, `
Geoffrey D. Price a
a
Research School of Geological and Geophysical Sciences, Birkbeck College and UniÕersity College London, Gower Street, London,
WC1E 6BT, UK
b
Department of Physics and Astronomy, UniÕersity College London, Gower Street, London, WC1E 6BT, UK
Received 3 November 1998; accepted 17 May 1999
Abstract
In order to predict the stable polymorph of iron under core conditions, calculations have been performed on all the
Z . Z .candidate phases proposed for inner core conditions, namely, body-centred cubic bcc , body-centred tetragonal bct ,
Z . Z .hexagonal close-packed hcp , double-hexagonal close-packed dhcp and an orthorhombically distorted hcp polymorph. Our

  

Source: Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London
Price, G. David - Department Earth Sciences, University College London
Voèadlo, Lidunka - Department Earth Sciences, University College London

 

Collections: Chemistry; Geosciences; Materials Science; Physics