Materials Map

Discover the materials research landscape. Find experts, partners, networks.

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The Materials Map is an open tool for improving networking and interdisciplinary exchange within materials research. It enables cross-database search for cooperation and network partners and discovering of the research landscape.

The dashboard provides detailed information about the selected scientist, e.g. publications. The dashboard can be filtered and shows the relationship to co-authors in different diagrams. In addition, a link is provided to find contact information.

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The Materials Map is still under development. In its current state, it is only based on one single data source and, thus, incomplete and contains duplicates. We are working on incorporating new open data sources like ORCID to improve the quality and the timeliness of our data. We will update Materials Map as soon as possible and kindly ask for your patience.

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in Cooperation with on an Cooperation-Score of 37%

Topics

Publications (8/8 displayed)

  • 2021High-Pressure Yttrium Nitride, $Y_{5}N_{14}$, Featuring Three Distinct Types of Nitrogen Dimers16citations
  • 2021Synthesis of Ilmenite-type $ε$-Mn$_2$O$_3$ and Its Properties7citations
  • 2020Proton mobility in metallic copper hydride from high-pressure nuclear magnetic resonance21citations
  • 2019Mass Transport and Structural Properties of Binary Liquid Iron Alloys at High Pressure14citations
  • 2018A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths94citations
  • 2006High-pressure alloying of iron and xenon: “Missing” Xe in the Earth's core?36citations
  • 2004Ab-initio high-pressure alloying of iron and potassium: Implications for the Earth's core34citations
  • 2001Importance of Magnetism in Phase Stability, Equations of State, and Elasticitycitations

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Aslandukov, Andrey
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Glazyrin, Konstantin
3 / 41 shared
Dubrovinsky, Leonid
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Aslandukova, Alena
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Laniel, Dominique
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Hanfland, Michael
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Yuan, Liang
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Fedotenko, Timofey
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Dubrovinskaia, Natalia
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Wilhelm, Fabrice
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Ovsyannikov, Sergey
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Aslandukova, Alena A.
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Tsirlin, Alexander
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Rogalev, Andrei
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Chariton, Stella
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Morozova, Natalia V.
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Korobeynikov, Igor V.
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Meier, Thomas
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Koemets, Egor
1 / 9 shared
Criniti, Giacomo
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Bykov, Maxim
1 / 30 shared
Trybel, Florian
1 / 5 shared
Posner, Esther
1 / 2 shared
Van Hoolst, Tim
1 / 1 shared
Jaeken, Jan
1 / 1 shared
Chust, Thomas
1 / 1 shared
Rivoldini, Attilio
1 / 4 shared
Cottenier, Stefaan
1 / 13 shared
Hakim, Kaustubh
1 / 1 shared
Chart of publication period
2021
2020
2019
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Co-Authors (by relevance)

  • Aslandukov, Andrey
  • Glazyrin, Konstantin
  • Dubrovinsky, Leonid
  • Aslandukova, Alena
  • Laniel, Dominique
  • Hanfland, Michael
  • Yuan, Liang
  • Fedotenko, Timofey
  • Dubrovinskaia, Natalia
  • Koemets, Iuliia
  • Khandarkhaeva, Saiana
  • Wilhelm, Fabrice
  • Ovsyannikov, Sergey
  • Aslandukova, Alena A.
  • Tsirlin, Alexander
  • Rogalev, Andrei
  • Chariton, Stella
  • Morozova, Natalia V.
  • Korobeynikov, Igor V.
  • Meier, Thomas
  • Koemets, Egor
  • Criniti, Giacomo
  • Bykov, Maxim
  • Trybel, Florian
  • Posner, Esther
  • Van Hoolst, Tim
  • Jaeken, Jan
  • Chust, Thomas
  • Rivoldini, Attilio
  • Cottenier, Stefaan
  • Hakim, Kaustubh
OrganizationsLocationPeople

article

A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths

  • Van Hoolst, Tim
  • Jaeken, Jan
  • Chust, Thomas
  • Rivoldini, Attilio
  • Steinle-Neumann, Gerd
  • Cottenier, Stefaan
  • Hakim, Kaustubh
Abstract

More than a third of all exoplanets can be classified as super-Earths based on radius (1-2 R<SUB>⊕</SUB>) and mass (&lt;10 M<SUB>⊕</SUB>). Here we model mass-radius relations based on silicate mantle and iron core equations of state to infer to first order the structure and composition range of rocky super-Earths assuming insignificant gas envelopes. As their core pressures exceed those in the Earth by an order of magnitude, significant extrapolations of equations of state for iron are required. We develop a new equation of state of hexagonal close packed (hcp) iron for super-Earth conditions (SEOS) based on density functional theory results for pressures up to 137 TPa. A comparison of SEOS and extrapolated equations of state for iron from the literature reveals differences in density of up to 4% at 1 TPa and up to 20% at 10 TPa. Such density differences significantly affect mass-radius relations. On mass, the effect is as large as 10% for Earth-like super-Earths (core radius fraction of 0.5) and 20% for Mercury-like super-Earths (core radius fraction of 0.8). We also quantify the effects of other modeling assumptions such as temperature and composition by considering extreme cases. We find that the effect of temperature on mass (&lt;5%) is smaller than that resulting from the extrapolation of the equations of state of iron, and lower mantle temperatures are too low to allow for rock and iron miscibility for R &lt;1.75 R<SUB>⊕</SUB>. Our end-member cases of core and mantle compositions create a spread in mass-radius curves reaching more than 50% in terms of mass for a given planetary radius, implying that modeling uncertainties dominate over observational uncertainties for many observed super-Earths. We illustrate these uncertainties explicitly for Kepler-36b with well-constrained mass and radius. Assuming a core composition of 0.8ρ Fe (equivalent to 50 mol% S) instead of pure Fe leads to an increase of the core radius fraction from 0.53 to 0.64. Using a mantle composition of Mg<SUB>0.5</SUB>Fe<SUB>0.5</SUB>SiO<SUB>3</SUB> instead of MgSiO<SUB>3</SUB> leads to a decrease of the core radius fraction to 0.33. Effects of thermal structure and the choice of equation of state for the core material on the core radius of Kepler-36b are small but non-negligible, reaching 2% and 5%, respectively.

Topics
  • density
  • impedance spectroscopy
  • theory
  • density functional theory
  • iron
  • Mercury