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Superplumes – Past-Perovskite Investigated by First Principles In 2003-2004 the discovery of a high-pressure phase
transition in iron free MgSiO3 perovskite, the most abundant
Earth-forming mineral phase, was reported. In this paper Tsuchiya,
Tsuchiya & Wentzcovitch summarise their theoretical and computational
studies on this phase transition and on the physical properties of this
newly found post-perovskite phase. The theoretical approach is based on
density functional theory and on the plane-wave pseudopotential method.
They focused on the structural, elastic, vibrational, and thermodynamic
properties of the post-perovskite phase. For this transition the
predicted Clapeyron slope and several properties of the high-pressure
phase strongly suggest that this new phase is an important candidate for
a primary constituent in Dʺ.
Introduction
The structure and dynamics of the Earth are dominated by phase
transitions of Earth-forming materials (e.g., Helffrich & Wood, 2001).
Phase transitions of the constituent minerals can be the cause of major
changes in seismic velocity travelling through the mantle. Therefore one
of the central problems in the Earth sciences for a long time has been
the exploration and investigation of high-pressure phase change in the
predominant MgO-FeO-SiO2 system. The high-pressure
Pbnm-perovskite polymorph of
MgSiO3 (pv) (Liu, 1974) is believed to be the most abundant
mineral in the lower mantle (Knittle & Jeanloz, 1987). The possibility
of a phase transition in this polymorph has been controversial for
several years. There have been reports of its dissociation into SiO2
and MgO at 70-80 GPa and 3,000 K (Mead et
al., 1995; Saxena et
al., 1996), or possibly a
phase change above 83 GPa and 1,700 K (Shim et
al., 2001), or no phase
transition at all (Fiquet et al.,
2000) up to 94 GPa and 2,500 K, have appeared in the literature. None of
the pressure-temperature conditions in these experiments achieved the
thermodynamic state expected in the Dʺ region, though the
pressure-temperature (P-T) conditions in these experiments were quite
high. A post-perovskite (ppv)
transition in MgSiO3 has recently been found by
in situ X-ray diffraction in
a diamond anvil cell at ~2,500 K and ~125 KPa (Murakami et
al., 2004). This P-T
condition is similar to what is expected in the Dʺ layer near the
core-mantle boundary (CMB). First principle variable cell shape
calculation and its thermodynamic properties, as obtained by means of
quasiharmonic free energy calculations, were used to independently
identify the ppv structure (Tsuchiya et
al., 2004b; Tsuchiya et
al., 2005a). The predicted
Clapeyron slope of the ppv transition was ~7.5 ± 0.5 MPa/K, a number
that according to the authors is surprisingly close to that claimed to
be necessary for a solid-solid transition to account for the Dʺ
discontinuity (Sidorin et al.,
1999). These results, which have also been supported by another study
(Organov and Ono, 2004), suggest that the ppv phase might be the most
abundant mineral in the Dʺ region. Mantle convection could be enhanced
by the ppv phase transition with this large positive Clapeyron slope
(Nakagawa & Tackley, 2004) and superplume generation could also be
substantially affected (Matyska & Yuen, 2005). It is therefore essential
to understand the ppv transition and the properties of the ppv phase for
gaining an understanding of the deep lower mantle, particularly of the
Dʺ region (Lay & Helmberger, 1982; Lay et
al., 1998; Wysession et
al., 1998; Wysession et
al., 1999). It is also
important to understand seismic velocities and elastic anisotropy at
relevant pressures to understand the characteristic velocity
discontinuities and anisotropy that are observed in the Dʺ. Tsuchiya et
al., summarise their first
principles computational results that were obtained, with more results
still to come, in particular, the structural, thermodynamic and elastic
properties of ppv MgSiO3.
Conclusions
First principles computations have led to the identification of a new
polymorph of MgSiO3 with the CalrO3 structure that
is more stable than the Pbnm-pv phase. A Clapeyron slope of ~7.5 MPa/K
at ~2,750 K and ~125 GPa is given by quasiharmonic high-temperature
calculations of the thermodynamic phase boundary. Tsuchiya et
al., say these P-T conditions
are close to those that were anticipated for the Dʺ region and this
Clapeyron slope is close to that anticipated if the Dʺ topography were
related to a solid-solid transformation. At relevant pressures
thermodynamic properties of ppv are very similar to those of pv, with
some of them being indistinguishable. There are particular observables
in the deep mantle that have never been explained well, the
anticorrelated anomaly in VS
and VФ and the
positive S wave splitting. This type of anticorrelation can be produced
by the ppv transition. The very large S wave splitting can be produced
by a transversely isotropic medium of ppv with [001] oriented
vertically. It is strongly suggested by these results that the ppv
transition might be associated with the Dʺ discontinuity and that this
polymorph might be the most abundant phase in Dʺ.
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Author: M.H.Monroe Email: admin@austhrutime.com Sources & Further reading |