Stackhouse, S;
Stixrude, L;
Karki, BB;
(2010)
Thermal Conductivity of Periclase (MgO) from First Principles.
PHYS REV LETT
, 104
(20)
, Article 208501. 10.1103/PhysRevLett.104.208501.
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Abstract
We combine first-principles calculations of forces with the direct nonequilibrium molecular dynamics method to determine the lattice thermal conductivity k of periclase (MgO) up to conditions representative of the Earth's core-mantle boundary (136 GPa, 4100 K). We predict the logarithmic density derivative a = (partial derivative lnk/partial derivative ln rho)(Tau) = 4.6 +/- 1.2 and that k = 20 +/- 5 Wm(-1) K-1 at the core-mantle boundary, while also finding good agreement with extant experimental data at much lower pressures.
| Type: | Article |
|---|---|
| Title: | Thermal Conductivity of Periclase (MgO) from First Principles |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1103/PhysRevLett.104.208501 |
| Publisher version: | http://dx.doi.org/10.1103/PhysRevLett.104.208501 |
| Language: | English |
| Additional information: | © 2010 The American Physical Society |
| Keywords: | MOLECULAR-DYNAMICS SIMULATION, LOWER-MANTLE, TRANSPORT-PROPERTIES, HEAT-FLOW, PRESSURE, DIFFUSIVITY, PEROVSKITE, DEPENDENCE, MINERALS, LIQUIDS |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Earth Sciences |
| URI: | https://discovery-pp.ucl.ac.uk/id/eprint/768766 |
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