Thermal conductivity of MgO periclase at high pressure: Implications for the D″ region

Earth and Planetary Science Letters

Volumn 292, Issue 3-4, 2010, Pages 392-398

  de Koker, Nico ^a  

^a UNIVERSITÄT BAYREUTH   (Germany)

Author keywords

Core mantle boundary; Earth's mantle; Heat flux; Periclase; Thermal conductivity

Indexed keywords

BOLTZMANN TRANSPORT EQUATION; COMPUTATIONAL RESULTS; CONDUCTIVITY MEASUREMENTS; CORE-MANTLE BOUNDARY; DEBYE THEORY; EARTH'S MANTLE; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; HEAT FLOWS; HIGH PRESSURE; LATTICE DYNAMICS; LOWER MANTLE; LOWERMOST MANTLE; MANTLE MINERALS; MODEL ESTIMATES; PEIERLS; PERICLASE; PHONON LIFETIMES; THERMAL BOUNDARY LAYER; THERMAL EVOLUTION;

BOLTZMANN EQUATION; CARBON FIBER REINFORCED PLASTICS; CRYSTAL LATTICES; HEAT FLUX; MOLECULAR DYNAMICS; OXIDE MINERALS; PEROVSKITE; SOLIDS; STRUCTURAL GEOLOGY; THERMOANALYSIS;

THERMAL CONDUCTIVITY;

CORE-MANTLE BOUNDARY; HEAT FLOW; HEAT FLUX; HIGH PRESSURE; LOWER MANTLE; MAGNESIUM; MANTLE STRUCTURE; PERICLASE; PEROVSKITE; THERMAL CONDUCTIVITY;

EID: 77950596042     PISSN: 0012821X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.epsl.2010.02.011     Document Type: Article

References (67)

1. Alfè D. Temperature of the inner-core boundary of the Earth: melting of iron at high pressure from first-principles coexistence simulations. Physical Review B 2009, 79. R.
2. Anderson O.L. The determination of the volume dependence of the Grüneisen parameter ?. J. Geophys. Res. 1974, 79:1153-1155.
3. Baroni S., Resta R. Ab initio calculation of the macroscopic dielectric constant in silicon. Physical Review B 1986, 33:7017-7021.
4. Boehler R. High-pressure experiments and the phase diagram of lower mantle and core materials. Rev. Geophys. 2000, 38:221-245.
5. Brown J.M. Interpretation of the D′ zone at the base of the mantle: dependence on assumed values of thermal conductivity. Geophys. Res. Lett. 1986, 13:1509-1512.
6. Brown J.M., McQueen R.G. Phase transitions, Grüneisen parameter, and elasticity for shocked iron between 77GPa and 400GPa. J. Geophys. Res. 1986, 91:7485-7494.
7. Buffett B.A. Estimates of heat flow in the deep mantle based on the power requirements for the geodynamo. Geophys. Res. Lett. 2002, 29. 10.1029/2001GL014649.
8. Buffett B.A. A bound on heat flow below a double crossing of the perovskitepostperovskite phase transition. Geophys. Res. Lett. 2007, 34. 10.1029/2007GL030930.
9. Buffett B.A. Onset and orientation of convection in the inner core. Geophysical Journal International 2009, 173. 10.1111/j.1365-246X.2009.04311.x.
10. Buffett B.A., Huppert H., Lister J.R., Woods A.W. Analytical model for the solidification of the Earth's core. Nature 1992, 356:329-331.
11. Burke K., Steinberger B., Torsvik T.H., Smethurst M.A. Plume generation zones at the margins of large low shear velocity provinces on the core-mantle boundary. Earth Planet. Sci. Lett. 2008, 265:49-60.
12. Ceperley D.M., Alder B.J. Ground-state of the electron-gas by a Stochastic method. Phys. Rev. Lett. 1980, 45:566-569.
13. Cohen R. Thermal conductivity of MgO at high pressures. Review of High Pressure Science and Technology 1998, 7:160-162.
14. Davies G.F. Mantle regulation of core cooling: a geodynamo without core radioactivity?. Phys. Earth Planet. In. 2007, 160:215-229.
15. de Koker N. Thermal conductivity of MgO periclase from equilibrium first principles molecular dynamics. Phys. Rev. Lett. 2009, 103. 10.1103/PhysRevLett.103.125902.
16. 3 perovskite. Geophysical Journal International 2009, 178:162-179.
17. 4 liquid at high pressure. Geochim. Cosmochim. Acta 2008, 72:1427-1441. 10.1016/j.gca.2007.12.019.
18. Duffy T.S., Ahrens T.J. Compressional sound velocity, equation of state, and constitutive response of shock-compressed magnesium oxide. J. Geophys. Res. 1995, 100:529-542.
19. Dziewonski A.M., Anderson D.L. Preliminary reference Earth model. Phys. Earth Planet. In. 1981, 25:297-356.
20. Fei Y. Thermal expansion. Mineral Physics and Crystallography: A Handbook of Physical Constants 1995, Volume 2:29-44. American Geophysical Union, Washington, D.C, AGU Reference Shelf. T.J. Ahrens (Ed.).
21. Gajdos M., Hummer K., Kresse G., J.F., F.B. Linear optical properties in the PAW methodology. Physical Review B 2006, 73:045112.
22. Gessman C.K., Wood B.J. Potassium in the Earth's core?. Earth Planet. Sci. Lett. 2002, 200:63-78.
23. Glatzmaier G.A., Roberts P.H. A three dimensional convective dynamo solution with rotating and finitely conducting inner core and mantle. Phys. Earth Planet. In. 1995, 91:63-75.
24. Goncharov A.F., Beck P., Struzhkin V.V., Haugen B.D., Jacobsen S.D. Thermal conductivity of lower-mantle minerals. Phys. Earth Planet. In. 2009, 174:24-32.
25. Goncharov A.F., Haugen B.D., Struzhkin V.V., Beck P., Jacobsen S.D. Radiative conductivity in the Earth's lower mantle. Nature 2008, 456:231-234.
26. Hernlund J.W., Thomas C., Tackley P.J. A doubling of the post-perovskite phase boundary and structure of the Earth's lowermost mantle. Nature 2005, 343:882-886.
27. Hofmeister A.M. Mantle values of thermal conductivity and the geotherm from phonon lifetimes. Science 1999, 283:1699-1706.
28. Hofmeister A.M. Pressure dependence of thermal transport properties. Proc. Natl. Acad. Sci. 2007, 104:9192-9197.
29. Hofmeister A.M., Yuen D.A. Critical phenomena in thermal conductivity: implications for lower mantle dynamics. Journal of Geodynamics 2007, 44:186-199.
30. Hohenberg P., Kohn W. Inhomogeneous electron gas. Physical Review 1964, 136:864-871.
31. Jasperse J.R., Kahan A., Plendl J.N., Mitra S.S. Temperature dependence of infrared dispersion in ionic crystals of LiF and MgO. Physical Review 1964, 146:526-542.
32. Julian C.L. Theory of heat conduction in rare-gas crystals. Physical Review 1965, 137:128-137.
33. Kanamori H., Fujii N., Mizutani H. Thermal diffusivity measurement of rock-forming minerals from 300° to 1100°K. J. Geophys. Res. 1968, 73:595-605.
34. Karki B.B., Wentzcovitch R.M., De Gironcoli S., Baroni S. High-pressure lattice dynamics and thermoelasticity of MgO. Physical Review B 2000, 61:8793-8800.
35. Katsura T. Thermal diffusivity of periclase at high temperatures and pressures. Phys. Earth Planet. In. 1997, 101:73-77.
36. Keppler H., Dubrovinsky L.S., Narygina O., Kantor I. Optical absorption and radiative thermal conductivity of silicate perovskite to 125 gigapascals. Science 2008, 322:1529-1532.
37. Kieffer S.W. Lattice thermal conductivity within the earth and considerations of a relationship between the pressure dependence of the thermal diffusivity and the volume dependence of the Grüneisen parameter. J. Geophys. Res. 1976, 81:3025-3030.
38. Klemens P.G. Thermal conductivity and lattice vibrational modes. Solid State Physics 1958, Volume 7:1-98. Academic Press Inc, New York. F. Seitz, D. Turnbull (Eds.).
39. Kohn W., Sham L.J. Self-consistent equations including exchange and correlation effects. Physical Review 1965, 140:1133.
40. Kresse G., Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. Mater. Sci. 1996, 6:15-50.
41. Kresse G., Hafner J. Norm-conserving and ultrasoft pseudopotentials for first-row and transition-elements. Journal of Physics - Condensed Matter 1994, 6:8245-8257.
42. Labrosse S. Thermal and magnetic evolution of the Earth's core. Phys. Earth Planet. In. 2003, 140:127-143.
43. Lay T., Hernlund J., Buffett B.A. Core-mantle boundary heat flow. Nature Geoscience 2008, 1:25-32.
44. Lay T., Williams Q., Garnero E.J. The core-mantle boundary layer and deep Earth dynamics. Nature 1998, 392:461-468.
45. Monkhorst H.J., Pack J.D. Special points for Brillouin-zone integrations. Physical Review B. 1976, 13:5188-5192.
46. Nimmo F., Price G.D., Brodholt J., Gubbins D. The influence of potassium on core and geodynamo evolution. Geophysical Journal International 2004, 156:363-376.
47. 3 perovskite at pressures and temperatures of the Earth's mantle. Nature 2001, 411:934-937.
48. Oganov A.R., Dorogokupets P.I. All-electron and pseudopotential study of MgO: equation of state, anharmonicity, and stability. Physical Review B 2003, 67. 10.1103/PhysRevB.67.224110.
49. Oganov A.R., Gillian M.J., Price G.D. Ab initio lattice dynamics and structural stability of MgO. J. Chem. Phys. 2003, 118:10,174-10,182.
50. 3 perovskite. Geophys. Res. Lett. 1991, 18:239-242.
51. Parlinski K. (2008) Phonon Software.
52. Peierls R. Zur kinetischen Theorie der Wärmeleitung in Kristallen. Annalen der Physik 1929, 3:1055-1101.
53. Ross R.G., Anderson P., Sundqvist B., Bäckström G. Thermal conductivity of solids and liquids under pressure. Reports on Progress in Physics 1984, 47:1347-1402.
54. Roufosse M.C., Klemens P.G. Thermal conductivity of complex dielectric crystals. Physical Review B 1973, 7:5379-5386.
55. Sakuraba A., Roberts P.H. Generation of a strong magnetic field using uniform heat flux at the surface of the core. Nature Geoscience 2009, 2:802-805.
56. Schubert G., Turcotte D.L., Olson P. Mantle Convection in the Earth and Planets 2001, Cambridge University Press, Cambridge.
57. Schuberth B., Bunge H.P., Steinle-Neumann G., Moder C., Oeser J. Thermal vs. elastic heterogeneity in high-resolution mantle circulation models with pyrolite composition: high plume excess temperatures in the lowermost mantle. Geochemistry, Geophysics, Geosystems 2008, 10. 10.1029/2008GC002235.
58. Speziale S., Zha C.S., Duffy T.S., Hemley R.J., Mao H.K. Quasi-hydrostatic compression of magnesium oxide to 52GPa: implications for the pressure-volume-temperature equation of state. J. Geophys. Res. 2001, 106:515-528.
59. Steinle-Neumann G., Stixrude L., Cohen R.E., Gülseren O. Elasticity of iron at the temperature of the Earth's inner core. Nature 2001, 413:57-60.
60. Sternheimer R.M. Electronic polarizabilities of ions from the Hartree-Fock wave functions. Physical Review 1954, 96:951-968.
61. Stixrude L., de Koker N., Sun N., Mookherjee M., Karki B. Thermodynamics of silicate liquids in the deep Earth. Earth Planet. Sci. Lett. 2009, 278.
62. Stixrude L., Lithgow-Bertelloni C. Thermodynamics of mantle minerals - I. Physical properties. Geophysical Journal International 2005, 162:610-632.
63. Stixrude L., Lithgow-Bertelloni C. Influence of phase transformations on lateral heterogeneity and dynamics in Earth's mantle. Earth Planet. Sci. Lett. 2007, 263:45-55.
64. Williams Q., Garnero E.J. Seismic evidence for partial melt at the base of Earth's mantle. Science 1996, 273:1528-1530.
65. Xu W., Lithgow-Bertelloni C., Stixrude L. The effect of bulk composition and temperature on mantle seismic structure. Earth Planet. Sci. Lett. 2008, 275:70-79.
66. Zhong Z. Constraints on thermochemical convection of the mantle from plume heat flux, plume excess temperature, and upper mantle temperature. J. Geophys. Res. 2006, 111. 10.1029/2005JB003972.
67. Ziman J.M. Electrons and Phonons 1960, Oxford University Press, Oxford.