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Origin of the Low Rigidity of the Earth's Inner Core
KTH, School of Engineering Sciences (SCI), Theoretical Physics. (Condensed Matter Theory)ORCID iD: 0000-0001-7531-3210
Department of Physics, Uppsala University. (Condensed Matter Theory)
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. (Applied Material Physics)
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2007 (English)In: Science, ISSN 0036-8075, Vol. 316, 1603- p.Article in journal (Refereed) Published
Abstract [en]

Earth's solid-iron inner core has a low rigidity that manifests itself in the anomalously low velocities of shear waves as compared to shear wave velocities measured in iron alloys. Normally, when estimating the elastic properties of a polycrystal, one calculates an average over different orientations of a single crystal. This approach does not take into account the grain boundaries and defects that are likely to be abundant at high temperatures relevant for the inner core conditions. By using molecular dynamics simulations, we show that, if defects are considered, the calculated shear modulus and shear wave velocity decrease dramatically as compared to those estimates obtained from the averaged single-crystal values. Thus, the low shear wave velocity in the inner core is explained.

Place, publisher, year, edition, pages
2007. Vol. 316, 1603- p.
Keyword [en]
NANOCRYSTALLINE METALS, MOLECULAR-DYNAMICS, IRON, ELASTICITY, STRESS, MODEL, GPA
National Category
Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-11021DOI: 10.1126/science.1141374ISI: 000247239900037Scopus ID: 2-s2.0-34250837502OAI: oai:DiVA.org:kth-11021DiVA: diva2:234446
Note
QC 20100708Available from: 2009-09-08 Created: 2009-09-08 Last updated: 2010-11-08Bibliographically approved
In thesis
1. Atomistic Computer Simulations of Melting, Diffusion and Thermal Defects in High Pressure Solids
Open this publication in new window or tab >>Atomistic Computer Simulations of Melting, Diffusion and Thermal Defects in High Pressure Solids
2009 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

The present work describes the use of atomistic computer simulations in the area of Condensed Matter Physics, and speci cally its application to the study of two problems: the dynamics of the melting phase transition and the properties of materials at extremely high pressures and temperatures, problems which defy experimental measurements and purely analytical calculations.

A good sampling of techniques including classical and rst-principles Molecular Dynamics, and Metropolis Monte Carlo simulation have been applied in this study. It includes the calculation of melting curves for a wide range of pressures for elements such as Xe and H2, the comparison of two di erent models for molecular interactions in ZrO2 with respect to their ability to reproduce the melting point of the stable cubic phase, the study of the elastic constants of Fe at the extreme conditions of the Earth's inner core, and the stability of its crystalline phases. One of the most interesting results in this work is the characterization of di usion and defects formation in generic models of crystalline solids (namely Lennard-Jones and Embedded-atom) at the limit of superheating, including the role they play in the triggering of the melting process itself.

Place, publisher, year, edition, pages
Stockholm: KTH, 2009. 82 p.
National Category
Materials Engineering
Identifiers
urn:nbn:se:kth:diva-11027 (URN)978-91-7415-407-8 (ISBN)
Public defence
2009-09-18, F3, Lindstedstvägen 26, KTH, Stockholm, 10:00 (English)
Opponent
Supervisors
Note
QC 20100708Available from: 2009-09-10 Created: 2009-09-08 Last updated: 2011-04-19Bibliographically approved
2. Atomistic Computer Simulations of the Melting Process and High Pressure Conditions
Open this publication in new window or tab >>Atomistic Computer Simulations of the Melting Process and High Pressure Conditions
2008 (English)Licentiate thesis, comprehensive summary (Other scientific)
Abstract [en]

The present work describes the use of atomistic computer simulations in the area of Condensed Matter Physics, and specifically its application to the study of two problems: the dynamics of the melting phase transition and the properties of materials at extreme high pressures and temperatures, problems which defy experimental measurements and purely analytical calculations.

Both classical Molecular Dynamics (using semi–empirical interaction potentials) and first–principles (ab initio) Molecular Dynamics techniques has been applied in this study to the calculation of melting curves in a wide range of pressures for elements such as Xe and H2, the study of the elastic constants of Fe at the conditions of the Earth’s inner core, and the characterization of diffusion and defects formation in a generic Lennard–Jones crystal at the limit of superheating, including the role they play in the triggering of the melting process itself.

Place, publisher, year, edition, pages
Stockholm: KTH, 2008. 40 p.
National Category
Other Engineering and Technologies not elsewhere specified
Identifiers
urn:nbn:se:kth:diva-4826 (URN)978-91-7415-025-4 (ISBN)
Presentation
2008-06-12, Room B22, KTH, Brinellvägen 23, Stockholm, 10:00 (English)
Opponent
Supervisors
Note
QC 20101108Available from: 2008-06-13 Created: 2008-06-13 Last updated: 2010-11-08Bibliographically approved

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Belonoshko, AnatolyRosengren, Anders

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