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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=(∂ln k/∂ln ρ)T=4.6±1.2 and that k=20±5Wm 1K 1 at the core-mantle boundary, while also finding good agreement with extant experimental data at much lower pressures. © 2010 The American Physical Society. - -

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Physical Review Letters