Ar. Oganov et al., The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle, NATURE, 411(6840), 2001, pp. 934-937
The temperature anomalies in the Earth's mantle associated with thermal con
vection(1) can be inferred from seismic tomography, provided that the elast
ic properties of mantle minerals are known as a function of temperature at
mantle pressures. At present, however, such information is difficult to obt
ain directly through laboratory experiments. We have therefore taken advant
age of recent advances in computer technology, and have performed finite-te
mperature ab initio molecular dynamics simulations(2,3) of the elastic prop
erties of MgSiO3 perovskite, the major mineral of the lower mantle, at rele
vant thermodynamic conditions. When combined with the results from tomograp
hic images of the mantle, our results indicate that the lower mantle is eit
her significantly anelastic(4) or compositionally heterogeneous on large sc
ales(5). We found the temperature contrast between the coldest and hottest
regions of the mantle, at a given depth, to be about 800 K at 1,000 km, 1,5
00 K at 2,000 km, and possibly over 2,000 K at the core-mantle boundary.