Efficacy of the post-perovskite phase as an explanation for lowermost-mantle seismic properties

Constraining the chemical, rheological and electromagnetic properties of the lowermost mantle (D') is important to understand the formation and dynamics of the Earth's mantle and core. To explain the origin of the variety of characteristics of this layer observed with seismology, a number of theories have been proposed, including core-mantle interaction, the presence of remnants of subducted material and that D' is the site of a mineral phase transformation. This final possibility has been rejuvenated by recent evidence for a phase change in MgSiO3 perovskite (thought to be the most prevalent phase in the lower mantle) at near core-mantle boundary temperature and pressure conditions. Here we explore the efficacy of this 'post-perovskite' phase to explain the seismic properties of the lowermost mantle through coupled ab initio and seismic modelling of perovskite and post-perovskite polymorphs of MgSiO3, performed at lowermost-mantle temperatures and pressures. We show that a post-perovskite model can explain the topography and location of the D' discontinuity, apparent differences in compressional- and shear-wave models and the observation of a deeper, weaker discontinuity. Furthermore, our calculations show that the regional variations in lower-mantle shear-wave anisotropy are consistent with the proposed phase change in MgSiO3 perovskite.     

Dislocation creep in MgSiO3 perovskite at conditions of the Earth's uppermost lower mantle

Seismic anisotropy provides an important observational constraint on flow in the Earth's deep interior. The quantitative interpretation of anisotropy, however, requires knowledge of the slip geometry of the constitutive minerals that are responsible for producing rock fabrics. The Earth's lower mantle is mostly composed of (Mg, Fe)SiO3 perovskite, but as MgSiO3 perovskite is not stable at high temperature under ambient pressure, it has not been possible to investigate its mechanical behaviour with conventional laboratory deformation experiments. To overcome this limitation, several attempts were made to infer the mechanical properties of MgSiO3 perovskite on the basis of analogue materials. But perovskites do not constitute an analogue series for plastic deformation, and therefore the direct investigation of MgSiO3 perovskite is necessary. Here we have taken advantage of recent advances in experimental high-pressure rheology to perform deformation experiments on coarse-grained MgSiO3 polycrystals under pressure and temperature conditions of the uppermost lower mantle. We show that X-ray peak broadening measurements developed in metallurgy can be adapted to low-symmetry minerals to identify the elementary deformation mechanisms activated under these conditions. We conclude that, under uppermost lower-mantle conditions, MgSiO3 perovskite deforms by dislocation creep and may therefore contribute to producing seismic anisotropy in rocks at such depths.     

The elasticity of the MgSiO3 post-perovskite phase in the Earth's lowermost mantle

MgSiO3 perovskite has been assumed to be the dominant component of the Earth's lower mantle, although this phase alone cannot explain the discontinuity in seismic velocities observed 200-300 km above the core-mantle boundary (the D" discontinuity) or the polarization anisotropy observed in the lowermost mantle. Experimental and theoretical studies that have attempted to attribute these phenomena to a phase transition in the perovskite phase have tended to simply confirm the stability of the perovskite phase. However, recent in situ X-ray diffraction measurements have revealed a transition to a 'post-perovskite' phase above 125 GPa and 2,500 K--conditions close to those at the D" discontinuity. Here we show the results of first-principles calculations of the structure, stability and elasticity of both phases at zero temperature. We find that the post-perovskite phase becomes the stable phase above 98 GPa, and may be responsible for the observed seismic discontinuity and anisotropy in the lowermost mantle. Although our ground-state calculations of the unit cell do not include the effects of temperature and minor elements, they do provide a consistent explanation for a number of properties of the D" layer.     

Global azimuthal seismic anisotropy and the unique plate-motion deformation of Australia

Differences in the thickness of the high-velocity lid underlying continents as imaged by seismic tomography, have fuelled a long debate on the origin of the 'roots' of continents. Some of these differences may be reconciled by observations of radial anisotropy between 250 and 300 km depth, with horizontally polarized shear waves travelling faster than vertically polarized ones. This azimuthally averaged anisotropy could arise from present-day deformation at the base of the plate, as has been found for shallower depths beneath ocean basins. Such deformation would also produce significant azimuthal variation, owing to the preferred alignment of highly anisotropic minerals. Here we report global observations of surface-wave azimuthal anisotropy, which indicate that only the continental portion of the Australian plate displays significant azimuthal anisotropy and strong correlation with present-day plate motion in the depth range 175-300 km. Beneath other continents, azimuthal anisotropy is only weakly correlated with plate motion and its depth location is similar to that found beneath oceans. We infer that the fast-moving Australian plate contains the only continental region with a sufficiently large deformation at its base to be transformed into azimuthal anisotropy. Simple shear leading to anisotropy with a plunging axis of symmetry may explain the smaller azimuthal anisotropy beneath other continents.     

Crystallographic preferred orientation of akimotoite and seismic anisotropy of Tonga slab

The mineral akimotoite, ilmenite-structured MgSiO(3), exists at the bottom of the Earth's mantle transition zone and within the uppermost lower mantle, especially under low-temperature conditions. Akimotoite is thought to be a major constituent of the harzburgite layer of subducting slabs, and the most anisotropic mineral in the mantle transition zone. It has been predicted that if akimotoite crystals are preferentially oriented by plastic deformation, a cold subducted slab would be extremely anisotropic. However, there have been no studies of crystallographic preferred orientations and very few reports of plastic deformation experiments for MgSiO(3) ilmenite. Here we present plastic deformation experiments on polycrystalline akimotoite, which were conducted at confining pressures of 20-22 GPa and temperatures of 1,000-1,300 degrees C. We found a change in crystallographic preferred orientation pattern of akimotoite with temperature, where the c-axis maximum parallel to the compression direction develops at high temperature, whereas the c axes are preferentially oriented parallel to the shear direction or perpendicular to the compression direction at lower temperature. The previously reported difference in compressional-wave seismic anisotropy between the northern and southern segments of the Tonga slab at depths of the mantle transition zone can conceivably be attributed to the difference in the crystallographic preferred orientation pattern of akimotoite at varying temperature within the slab.     

Development of anisotropic structure in the Earth's lower mantle by solid-state convection

Seismological observations reveal highly anisotropic patches at the bottom of the Earth's lower mantle, whereas the bulk of the mantle has been observed to be largely isotropic. These patches have been interpreted to correspond to areas where subduction has taken place in the past or to areas where mantle plumes are upwelling, but the underlying cause for the anisotropy is unknown-both shape-preferred orientation of elastically heterogeneous materials and lattice-preferred orientation of a homogeneous material have been proposed. Both of these mechanisms imply that large-strain deformation occurs within the anisotropic regions, but the geodynamic implications of the mechanisms differ. Shape-preferred orientation would imply the presence of large elastic (and hence chemical) heterogeneity whereas lattice-preferred orientation requires deformation at high stresses. Here we show, on the basis of numerical modelling incorporating mineral physics of elasticity and development of lattice-preferred orientation, that slab deformation in the deep lower mantle can account for the presence of strong anisotropy in the circum-Pacific region. In this model-where development of the mineral fabric (the alignment of mineral grains) is caused solely by solid-state deformation of chemically homogeneous mantle material-anisotropy is caused by large-strain deformation at high stresses, due to the collision of subducted slabs with the core-mantle boundary.     

The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle.

The temperature anomalies in the Earth's mantle associated with thermal convection can be inferred from seismic tomography, provided that the elastic properties of mantle minerals are known as a function of temperature at mantle pressures. At present, however, such information is difficult to obtain directly through laboratory experiments. We have therefore taken advantage of recent advances in computer technology, and have performed finite-temperature ab initio molecular dynamics simulations of the elastic properties of MgSiO3 perovskite, the major mineral of the lower mantle, at relevant thermodynamic conditions. When combined with the results from tomographic images of the mantle, our results indicate that the lower mantle is either significantly anelastic or compositionally heterogeneous on large scales. 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, 1,500 K at 2,000 km, and possibly over 2,000 K at the core-mantle boundary.     

Seismic detection of folded, subducted lithosphere at the core-mantle boundary

Seismic tomography has been used to infer that some descending slabs of oceanic lithosphere plunge deep into the Earth's lower mantle. The fate of these slabs has remained unresolved, but it has been postulated that their ultimate destination is the lowermost few hundred kilometres of the mantle, known as the D' region. Relatively cold slab material may account for high seismic velocities imaged in D' beneath areas of long-lived plate subduction, and for reflections from a seismic velocity discontinuity just above the anomalously high wave speed regions. The D' discontinuity itself is probably the result of a phase change in relatively low-temperature magnesium silicate perovskite. Here, we present images of the D' region beneath the Cocos plate using Kirchhoff migration of horizontally polarized shear waves, and find a 100-km vertical step occurring over less than 100 km laterally in an otherwise flat D' shear velocity discontinuity. Folding and piling of a cold slab that has reached the core-mantle boundary, as observed in numerical and experimental models, can account for the step by a 100-km elevation of the post-perovskite phase boundary due to a 700 degrees C lateral temperature reduction in the folded slab. We detect localized low velocities at the edge of the slab material, which may result from upwellings caused by the slab laterally displacing a thin hot thermal boundary layer.     

Imaging the Indian subcontinent beneath the Himalaya

The rocks of the Indian subcontinent are last seen south of the Ganges before they plunge beneath the Himalaya and the Tibetan plateau. They are next glimpsed in seismic reflection profiles deep beneath southern Tibet, yet the surface seen there has been modified by processes within the Himalaya that have consumed parts of the upper Indian crust and converted them into Himalayan rocks. The geometry of the partly dismantled Indian plate as it passes through the Himalayan process zone has hitherto eluded imaging. Here we report seismic images both of the decollement at the base of the Himalaya and of the Moho (the boundary between crust and mantle) at the base of the Indian crust. A significant finding is that strong seismic anisotropy develops above the decollement in response to shear processes that are taken up as slip in great earthquakes at shallower depths. North of the Himalaya, the lower Indian crust is characterized by a high-velocity region consistent with the formation of eclogite, a high-density material whose presence affects the dynamics of the Tibetan plateau.     

Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer

The Earth's lower mantle is believed to be composed mainly of (Mg,Fe)SiO3 perovskite, with lesser amounts of (Mg,Fe)O and CaSiO3 (ref. 1). But it has not been possible to explain many unusual properties of the lowermost approximately 150 km of the mantle (the D" layer) with this mineralogy. Here, using ab initio simulations and high-pressure experiments, we show that at pressures and temperatures of the D" layer, MgSiO3 transforms from perovskite into a layered CaIrO3-type post-perovskite phase. The elastic properties of the post-perovskite phase and its stability field explain several observed puzzling properties of the D" layer: its seismic anisotropy, the strongly undulating shear-wave discontinuity at its top and possibly the anticorrelation between shear and bulk sound velocities.     

Pressure sensitivity of olivine slip systems and seismic anisotropy of Earth's upper mantle

The mineral olivine dominates the composition of the Earth's upper mantle and hence controls its mechanical behaviour and seismic anisotropy. Experiments at high temperature and moderate pressure, and extensive data on naturally deformed mantle rocks, have led to the conclusion that olivine at upper-mantle conditions deforms essentially by dislocation creep with dominant [100] slip. The resulting crystal preferred orientation has been used extensively to explain the strong seismic anisotropy observed down to 250 km depth. The rapid decrease of anisotropy below this depth has been interpreted as marking the transition from dislocation to diffusion creep in the upper mantle. But new high-pressure experiments suggest that dislocation creep also dominates in the lower part of the upper mantle, but with a different slip direction. Here we show that this high-pressure dislocation creep produces crystal preferred orientations resulting in extremely low seismic anisotropy, consistent with seismological observations below 250 km depth. These results raise new questions about the mechanical state of the lower part of the upper mantle and its coupling with layers both above and below.     

Seismological constraints on a possible plume root at the core-mantle boundary

Recent seismological discoveries have indicated that the Earth's core-mantle boundary is far more complex than a simple boundary between the molten outer core and the silicate mantle. Instead, its structural complexities probably rival those of the Earth's crust. Some regions of the lowermost mantle have been observed to have seismic wave speed reductions of at least 10 per cent, which appear not to be global in extent. Here we present robust evidence for an 8.5-km-thick and approximately 50-km-wide pocket of dense, partially molten material at the core-mantle boundary east of Australia. Array analyses of an anomalous precursor to the reflected seismic wave ScP reveal compressional and shear-wave velocity reductions of 8 and 25 per cent, respectively, and a 10 per cent increase in density of the partially molten aggregate. Seismological data are incompatible with a basal layer composed of pure melt, and thus require a mechanism to prevent downward percolation of dense melt within the layer. This may be possible by trapping of melt by cumulus crystal growth following melt drainage from an anomalously hot overlying region of the lowermost mantle. This magmatic evolution and the resulting cumulate structure seem to be associated with overlying thermal instabilities, and thus may mark a root zone of an upwelling plume.     

Anisotropy of Earth's D' layer and stacking faults in the MgSiO3 post-perovskite phase

The post-perovskite phase of (Mg,Fe)SiO3 is believed to be the main mineral phase of the Earth's lowermost mantle (the D' layer). Its properties explain numerous geophysical observations associated with this layer-for example, the D' discontinuity, its topography and seismic anisotropy within the layer. Here we use a novel simulation technique, first-principles metadynamics, to identify a family of low-energy polytypic stacking-fault structures intermediate between the perovskite and post-perovskite phases. Metadynamics trajectories identify plane sliding involving the formation of stacking faults as the most favourable pathway for the phase transition, and as a likely mechanism for plastic deformation of perovskite and post-perovskite. In particular, the predicted slip planes are {010} for perovskite (consistent with experiment) and {110} for post-perovskite (in contrast to the previously expected {010} slip planes). Dominant slip planes define the lattice preferred orientation and elastic anisotropy of the texture. The {110} slip planes in post-perovskite require a much smaller degree of lattice preferred orientation to explain geophysical observations of shear-wave anisotropy in the D' layer.     

Iron-silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle

The boundary between the Earth's metallic core and its silicate mantle is characterized by strong lateral heterogeneity and sharp changes in density, seismic wave velocities, electrical conductivity and chemical composition. To investigate the composition and properties of the lowermost mantle, an understanding of the chemical reactions that take place between liquid iron and the complex Mg-Fe-Si-Al-oxides of the Earth's lower mantle is first required. Here we present a study of the interaction between iron and silica (SiO2) in electrically and laser-heated diamond anvil cells. In a multianvil apparatus at pressures up to 140 GPa and temperatures over 3,800 K we simulate conditions down to the core-mantle boundary. At high temperature and pressures below 40 GPa, iron and silica react to form iron oxide and an iron-silicon alloy, with up to 5 wt% silicon. At pressures of 85-140 GPa, however, iron and SiO2 do not react and iron-silicon alloys dissociate into almost pure iron and a CsCl-structured (B2) FeSi compound. Our experiments suggest that a metallic silicon-rich B2 phase, produced at the core-mantle boundary (owing to reactions between iron and silicate), could accumulate at the boundary between the mantle and core and explain the anomalously high electrical conductivity of this region.     

High-pressure polymorphs of olivine and the 660-km seismic discontinuity

It had long been accepted that the 400-km seismic discontinuity in the Earth's mantle results from the phase transition of (Mg,Fe)2-SiO4-olivine to its high-pressure polymorph beta-spinel (wadsleyite), and that the 660-km discontinuity results from the breakdown of the higher-pressure polymorph gamma-spinel (ringwoodite) to MgSiO3-perovskite and (Mg,Fe)O-magnesiowüstite. An in situ multi-anvil-press X-ray study indicated, however, that the phase boundary of the latter transition occurs at pressures 2 GPa lower than had been found in earlier studies using multi-anvil recovery experiments and laser-heated diamond-anvil cells. Such a lower-pressure phase boundary would be irreconcilable with the accuracy of seismic measurements of the 660-km discontinuity, and would thus require a mineral composition of the mantle that is significantly different from what is currently thought. Here, however, we present measurements made with a laser-heated diamond-anvil cell which indicate that gamma-Mg2SiO4 is stable up to pressure and temperature conditions equivalent to 660-km depth in the Earth's mantle (24 GPa and 1,900 K) and then breaks down into MgSiO3-perovskite and MgO (periclase). We paid special attention to pressure accuracy and thermal pressure in our experiments, and to ensuring that our experiments were performed under nearly hydrostatic, inert pressure conditions using a variety of heating methods. We infer that these factors are responsible for the different results obtained in our experiments compared to the in situ multi-anvil-press study.     

Chemical interaction of Fe and Al(2)O3 as a source of heterogeneity at the Earth's core-mantle boundary

Seismological studies have revealed that a complex texture or heterogeneity exists in the Earth's inner core and at the boundary between core and mantle. These studies highlight the importance of understanding the properties of iron when modelling the composition and dynamics of the core and the interaction of the core with the lowermost mantle. One of the main problems in inferring the composition of the lowermost mantle is our lack of knowledge of the high-pressure and high-temperature chemical reactions that occur between iron and the complex Mg-Fe-Si-Al-oxides which are thought to form the bulk of the Earth's lower mantle. A number of studies have demonstrated that iron can react with MgSiO3-perovskite at high pressures and high temperatures, and it was proposed that the chemical nature of this process involves the reduction of silicon by the more electropositive iron. Here we present a study of the interaction between iron and corundum (Al(2)O3) in electrically- and laser-heated diamond anvil cells at 2,000-2,200 K and pressures up to 70 GPa, simulating conditions in the Earth's deep interior. We found that at pressures above 60 GPa and temperatures of 2,200 K, iron and corundum react to form iron oxide and an iron-aluminium alloy. Our results demonstrate that iron is able to reduce aluminium out of oxides at core-mantle boundary conditions, which could provide an additional source of light elements in the Earth's core and produce significant heterogeneity at the core-mantle boundary.     

华南块体各向异性分区及上地幔动力学含义

利用SKS波分裂方法,对布设在华南地区的宽频带流动地震观测台阵数据进行分析。研究结果表明,华南块体(SCB)的SKS波分裂自西向东存在明显的变化。在华南块体西部克拉通岩石圈保留完整的四川盆地区域,SKS波分裂不明显,反映该区域岩石圈厚且缺乏大规模的一致性变形;在四川盆地东缘褶皱带区域,SKS波分裂快波方向主要为NNE向,分裂延迟时间可以达到1s左右,记录了该区域岩石圈地幔经历的一致的显著变形;华南块体东部的SKS波分裂快波方向主要为ENE向,分裂延迟时间为1s左右,该区域各向异性主要来自软流圈流动的贡献,与大地幔楔的流动方向契合;四川盆地东缘以东200km范围内,各向异性结果大部分显示为Null值,显示该区域在地质历史上可能发生过复杂的地球动力学过程。     

Boundary-layer mantle flow under the Dead Sea transform fault inferred from seismic anisotropy

Lithospheric-scale transform faults play an important role in the dynamics of global plate motion. Near-surface deformation fields for such faults are relatively well documented by satellite geodesy, strain measurements and earthquake source studies, and deeper crustal structure has been imaged by seismic profiling. Relatively little is known, however, about deformation taking place in the subcrustal lithosphere--that is, the width and depth of the region associated with the deformation, the transition between deformed and undeformed lithosphere and the interaction between lithospheric and asthenospheric mantle flow at the plate boundary. Here we present evidence for a narrow, approximately 20-km-wide, subcrustal anisotropic zone of fault-parallel mineral alignment beneath the Dead Sea transform, obtained from an inversion of shear-wave splitting observations along a dense receiver profile. The geometry of this zone and the contrast between distinct anisotropic domains suggest subhorizontal mantle flow within a vertical boundary layer that extends through the entire lithosphere and accommodates the transform motion between the African and Arabian plates within this relatively narrow zone.     

中国东北上地幔各向异性研究

利用中国数字地震台网记录的地震波形,观测其穿过地球外核和地幔的SKS波分裂特征,确定了快波S波的振动方向和快慢波时间延迟。这种经过地幔传播的SKS震相的横波分裂主要来源于上地幔的各向异性。可以用应变引起的上地幔中矿物质的结晶优势排列来解释。结果表明,对于所分析的10个观测台站均发现了明显的横波分裂现象。时间延迟在0.4～1.8 s。在东部地区,快波振动方向与中国东北西太平洋俯冲带的板块相对运动方向基本一致,说明俯冲的太平洋板块地幔流对各向异性有重要意义。在西部地区,快波振动方向和时间延迟都具有较大差异,说明其总体形变的起因是复杂的,各向异性受到地幔流和历史构造运动的双重影响。