Senior Research Fellow Center, Ehime University, 2-5 Bunkyo-cho, Matsuyama 790-8577, Japan.
Phys Rev Lett. 2013 Jan 11;110(2):025904. doi: 10.1103/PhysRevLett.110.025904.
The lattice thermal conductivity (κ(lat)) of MgSiO3 perovskite (Mg-Pv) under high-pressure and high-temperature conditions was computed based on the ab initio anharmonic lattice dynamics method with the density functional perturbation theory. κ(lat) of Mg-Pv is found to increase with increasing pressure from 9.8 (at 23.5 GPa) to 43.6 W m(-1) K(-1) (at 136 GPa) at 300 K, while decreasing with increasing temperature from 28.1 (at 300 K) to 2.3 W m(-1) K(-1) (at 4000 K) at 100 GPa. A multiphase composite average yielded a mantle Rayleigh number adequate to promote the vigorous thermal convection of the mantle that is expected geophysically.
基于第一性原理非谐晶格动力学方法和密度泛函微扰理论,计算了高压高温条件下镁橄榄石钙钛矿(Mg-Pv)的晶格热导率(κ(lat))。结果表明,在 300 K 时,Mg-Pv 的 κ(lat) 随压力从 9.8(在 23.5 GPa 时)增加到 43.6 W m(-1) K(-1)(在 136 GPa 时),而在 100 GPa 时,随温度从 28.1(在 300 K 时)降低到 2.3 W m(-1) K(-1)(在 4000 K 时)。多相复合材料的平均结果产生了一个足以促进地幔强烈热对流的地幔瑞利数,这是地球物理预期的。