Ferrous iron in post-perovskite from first-principles calculations

We investigate by first-principles calculations the effect of ferrous iron, Fe²⁺, on the structure and the equation of state of MgSiO₃ post-perovskite. We find that ferrous iron is high-spin over the pressure range of the mantle assuming a ferromagnetic structure. The bulk modulus and the specific volume increase with the addition of ferrous iron to MgSiO₃. We find that Fe partitions preferentially to post-perovskite and broadens the two-phase pressure range.     

The elastic properties of single-crystal fayalite as determined by dynamical measurement techniques

We present new elasticity measurements on single-crystal fayalite and combine our results with other data from resonance, pulse superposition interferometry, and Brillouin scattering to provide a set of recommended values for the adiabatic elastic moduliC _ij and their temperature variations. We use a resonance method (RPR) with specimens that were previously investigated by pulse superposition experiments. The nineC _ij of fayalite are determined from three new sets of measurements. One set of our newC _ij data is over the range 300–500 K. We believe that the relatively large discrep ncies found in someC _ij are due in large part to specimen inhomogeneities (chemical and microstructural) coupled with differences in the way various techniques sample, rather than only systematic errors associated with experimental procedures or in the preparations of the specimens.Our recommendeaC _ij's (GPa) and (C _ij/T) _p (GPa/K) are: The resulting values for the isotropic bulk and shear moduli,K _s and , and their temperature derivatives are:K _s=134(4) GPa; =50.7(0.3) GPa; (K _s/T) _p =–0.024(0.005) GPa/K; and (/T) _p =–0.013(0.001) GPa/K. An important conclusion is thatK _s increases as the Fe/(Fe+Mg) ratio in olivine is increased.     

The effect of ferromagnetism on the equation of state of Fe3C studied by first-principles calculations

First-principles calculations have been used to determine the equation of state of Fe₃C in both its low-pressure magnetically ordered and high-pressure non-magnetically ordered states; at 0 K the ferromagnetic transition was found to occur at about 60 GPa. In the high pressure, non-magnetically ordered regime at 0 K the material may be described by a Birch-Murnaghan third-order equation of state with V₀=8.968(7) ų per atom, K₀=316.62(2) GPa and K′=4.30(2). At atmospheric pressure the ferromagnetic phase transition in Fe₃C occurs at ∼483 K; preliminary measurements of the thermal expansion by powder neutron diffraction show that this transition produces a large effect on thermoelastic properties. The volumetric thermal expansion coefficient in the paramagnetic phase was found to be 4.34×10⁻⁵ K⁻¹ at T∼550 K. By applying a thermal expansion correction to the calculated equation of state at 0 K, predicted values for the density and adiabatic incompressibility of this material at core pressures and temperatures were obtained. These results appear to be sufficiently different from seismological data so as to preclude Fe₃C as the major inner core-forming phase.     

Compressional behavior of MgCr2O4 spinel from first-principles simulation

The compressional behavior of the MgCr_2O_4 spinel has been investigated with the CASTEP code using density functional theory and planewave pseudopotential technique. We treated the exchange-correlation interaction by both the local density approximation(LDA) and generalized gradient approximation(GGA) with the Perdew-Burker-Ernzerhof functional. Our simulation was conducted for the pressure range of 0–19 GPa. We obtained the isothermal bulk modulus(K_T) of the MgCr_2O_4 spinel as 181.46(48) GPa(GGA; low boundary) or 216.1(11) GPa(LDA; high boundary), with its first derivative(K'_T) as 4.41(6) or 4.5(1), respectively. The oxygen parameter u is not constant but negatively correlated with P, and decreases by about 0.5–0.6% for the investigated P range. The component polyhedra have different compressibilities, increasing in the order of(O_4)_1CrO_6(O_4)_2O_6MgO_4. The Mg-O bond in the MgO_4 tetrahedron is much more compressible than the Cr-O bond in the CrO_6 octahedron.     

Latitudinal distribution of the solar wind properties in the low- and high-pressure regimes: Wind observations

The solar wind properties depend on , the heliomagnetic latitude with respect to the heliospheric current sheet (HCS), more than on the heliographic latitude. We analyse the wind properties observed by Wind at 1 AU during about 2.5 solar rotations in 1995, a period close to the last minimum of solar activity. To determine , we use a model of the HCS which we fit to the magnetic sector boundary crossings observed by Wind. We find that the solar wind properties mainly depend on the modulus ||. But they also depend on a local parameter, the total pressure (magnetic pressure plus electron and proton thermal pressure). Furthermore, whatever the total pressure, we observe that the plasma properties also depend on the time: the latitudinal gradients of the wind speed and of the proton temperature are not the same before and after the closest HCS crossing. This is a consequence of the dynamical stream interactions. In the low pressure wind, at low ||, we find a clear maximum of the density, a clear minimum of the wind speed and of the proton temperature, a weak minimum of the average magnetic field strength, a weak maximum of the average thermal pressure, and a weak maximum of the average factor. This overdense sheet is embedded in a density halo. The latitudinal thickness is about 5° for the overdense sheet, and 20° for the density halo. The HCS is thus wrapped in an overdense sheet surrounded by a halo, even in the non-compressed solar wind. In the high-pressure wind, the plasma properties are less well ordered as functions of the latitude than in the low-pressure wind; the minimum of the average speed is seen before the HCS crossing. The latitudinal thickness of the high-pressure region is about 20°. Our observations are qualitatively consistent with the numerical model of Pizzo for the deformation of the heliospheric current sheet and plasma sheet.     

超深碳酸盐岩油气储层岩石弹性性质高温高压超声实验研究

面向超深碳酸盐岩油气勘探开发中储层精细地震刻画问题,研发了高温（200℃）、高压（200 MPa）岩石弹性性质超声测量系统.收集塔里木盆地9块奥陶系超深碳酸岩储层岩石样品,通过高温高压条件下超声纵、横波速度测量发现,在围压保持69.0 MPa不变的情况下,当温度从25℃上升到200℃时,干岩石样品的纵、横波速度以及体积模量与剪切模量随着温度的升高而下降,纵波速度与体积模量最大降幅分别达到3.54%和7.54%,横波速度与剪切模量最大降幅分别达到4.57%和8.93%;在温度保持200℃不变情况下,当围压从69.0 MPa上升到137.9 MPa时,干岩石样品的纵、横波速度以及体积模量与剪切模量随着围压的升高而升高,纵波速度与体积模量最大升幅分别达到1.78%和3.39%,横波速度与剪切模量最大升幅分别达到1.95%和5.26%.在超深碳酸盐岩油气储层环境下,温度对碳酸盐岩岩石骨架弹性性质的影响可能超过围压对岩石骨架弹性性质的影响.岩石样品温度与围压循环实验表明,干岩石弹性性质与温度以及围压的变化关系不具可逆性,碳酸盐岩岩石样品弹性模量与温度之间总体上存在线性关系,其截距与斜率由碳酸盐岩岩石中方解石的含量控制.

     

Metamorphic characteristics and geotectonic implications of the high-pressure granulites from Namjagbarwa, eastern Tibet

A large area of high-pressure garnet-kyanite granulite is exhumed in the Namjagbarwa area, which provides a window for observing the deep crust rocks and structures of the Tibetan Plateau. Three mineral assemblages can have been distinguished in the garnet-kyanite HP granulites by petrography, i.e. M₁. Mus+Bi+P1+Q, M₂. Gt+Ky +perphite/antiperphite+Rt+Q, M₃. Gt+Sill+Cord+Sp+Ilm ± Opx. Metamorphic conditions of the peak granulite assemblages (M₂) formatted by thickening of crusts, with available isotopic ages of 45–69 Ma, are at 1.4—1.8 Gpa and 750—850°. Their retrograde assemblages overprinted by decompressure during the uplift, with available isotopic ages of 18—23 Ma, were formed at 0.60—0.70 Gpa, 621—726°. The thermobarometric evaluation, petrogenetic grid and corresponding isotopic ages indicate a clockwise isothermal decompression metamorphic path. The HP granulite metamorphic history indicates that the collision of the Indian Plate with the Eurasian Plate had begun at 70 Ma, far earlier than the widely accepted 45 Ma. Project supported by the National Natural Science Foundation of China (Grant No. 49732100), the National Key Project for Basic Research, and the Chinese Academy of Sciences Project for Tibetan Research Project (GrantNos. KZ951-A1-204, KZ95T-06).     

The petrogenesis of peridotitic komatiites: Evidence from high-pressure melting experiments

The compositions of liquidus olivines and orthopyroxenes of natural specimens of spinifex- and quench-textured peridotitic komatiites from the Belingwe Greenstone Belt, Rhodesia have been determined for pressures between 10 and 40 kbars. In conjunction with the chemical variation exhibited by these peridotitic komatiites it is concluded that the more magnesian lavas cannot be derived by concentration of olivine phenocrysts, fractional crystallisation or equilibrium partial melting. The peridotitic komatiites could evolve by polybaric assimilation and complete melting of garnet lherzolite into an initial liquid containing about 24% MgO.     

Oxygen in the Earth's core: a first-principles study

First-principles electronic structure calculations based on DFT have been used to study the thermodynamic, structural and transport properties of solid solutions and liquid alloys of iron and oxygen at Earth's core conditions. Aims of the work are to determine the oxygen concentration needed to account for the inferred density in the outer core, to probe the stability of the liquid against phase separation, to interpret the bonding in the liquid, and to find out whether the viscosity differs significantly from that of pure liquid iron at the same conditions. It is shown that the required concentration of oxygen is in the region 25–30 mol%, and evidence is presented for phase stability at these conditions. The Fe/O bonding is partly ionic, but with a strong covalent component. The viscosity is lower than that of pure liquid iron at Earth's core conditions. It is shown that earlier first-principles calculations indicating very large enthalpies of formation of solid solutions may need reinterpretation, since the assumed crystal structures are not the most stable at the oxygen concentration of interest.     

Determination of properties of Proterozoic continental flood basalts of western part from North Qilian Mountains

Proterozoic volcanic rocks of the western part from the North Qilian Mountains are the products of continental rift volcanism, belonging to continental flood basalts, the petrogeochemistry of which apears to suggest that they are derived from sub-lithospheric mantle plume sources, but that they also show evidence of continental lithosphere components involvement. Their formation is the consequences of plume-lithosphere interactions and is precursive to the opening of the North Qilian Early-Paleozoic ocean basin.     

Sediment load calculations from point measurements in sand-bed rivers

Point velocity and suspended sediment concentration measurements are used to calculate the total sediment discharge in sand-bed rivers.Calculations with the Series Expansion of the Modified Einstein Point Procedure(SEMEPP) depend on grain diameter d_s and settling velocity ω,flow depth h,shear velocity u*,and sampling depth h_p.This procedure extends the applicability of the Modified Einstein Procedure(MEP) by using point sediment concentration and velocity measurements.This procedure is tested using the laboratory data from Coleman,and field measurements from the Enoree,Middle Rio Grande and Mississippi Rivers.Based on 801 point measurements over 124 verticals at flow depths ranging from 0.17 m to 33.5 m and sediment concentrations less than 0.1 kg L~(-1),the accuracy of the calculations depends on u*/ω and h_p/d_s.Point measurement techniques like SEMEPP are well-suited when u*/ω 5 where at least 60%of the total sediment load is measured when 90%of the flow depth is sampled.The determination of sediment discharge from point measurements is most accurate in deep rivers when h_p/d_s 10.000.and u*/ω10.Point measurements are not well-suited for shallow rivers and laboratory flumes where h 0.5 m and when u*/ω 2.     

Continental subduction and exhumation of high-pressure rocks: insights from thermo-mechanical laboratory modelling

Thermo-mechanical physical modelling of continental subduction is performed to investigate the exhumation of deeply subducted continental crust. The model consists of two lithospheric plates made of new temperature sensitive analogue materials. The lithosphere is underlain by liquid asthenosphere. The continental lithosphere contains three layers: the weak sedimentary layer, the crust made of a stronger material, and of a still stronger lithospheric mantle. The whole model is subjected to a constant vertical thermal gradient, causing the strength reduction with depth in each lithospheric layer. Subduction is driven by both push force and pull force. During subduction, the subducting lithosphere is heating and the strength of its layers reduces. The weakening continental crust reaches maximal depth of about 120 km and cannot subduct deeper because its frontal part starts to flow up. The subducted crust undergoes complex deformation, including indicated upward ductile flow of the most deeply subducted portions and localised failure of the subducted upper crust at about 50-km depth. This failure results in the formation of the first crustal slice which rises up between the plates under the buoyancy force. This process is accompanied by the delamination of the crustal and mantle layers of the subducting lithosphere. The delamination front propagates upwards into the interplate zone resulting in the formation of two other crustal slices that also rise up between the plates. Average equivalent exhumation rate of the crustal material during delamination is about 1 cm/year. The crust-asthenosphere boundary near the interplate zone is uplifted. The subducted mantle layer then breaks off, removing the pull force and thereby stopping the delamination and increasing horizontal compression of the lithosphere. The latter produces shortening of the formed orogen and the growth of relief. The modelling reveals an interesting burial/exhumation evolution of the sedimentary cover. During initial stages of continental subduction the sediments of the continental margin are dragged to the overriding plate base and are partially accreted at the deep part of the interplate zone (at 60-70 km-depth). These sediments remain there until the beginning of delamination during which the pressure between the subducted crust and the overriding plate increases. This results in squeezing the underplated sediments out. Part of them is extruded upwards along the interplate zone to about 30-km depth at an equivalent rate of 5-10 cm/year.     

On the equations of state of high-pressure solid phases

A practical scheme by which one can construct equations of state of high-pressure solid phases that cannot be determined experimentally given the present state of technology, is proposed and illustrated with three examples for its possible application to the study of elasticity and the constitution of the earth's mantle.     

Preliminary data on the shock-induced high-pressure transformation of olivine

Shock recovery experiments on olivine single crystals (mineralogical composition: forsterite～80) have been carried out in a pressure range from～200up to～ 575kbar. Infrared spectroscopic investigations indicate a transformation of the mineral within a pressure interval from～420to～575kbar. Exposure to dynamic pressures of～575kbar yielded complete decomposition of the former olivine into an X-ray amorphous material upon pressure release. The infrared investigations suggest the post-shock products to consist essentially out of short-range-ordered (Mg,Fe)O and SiO₂.     

Prograde pressure–temperature records from inclusions in zircons from ultrahigh-pressure–high-pressure rocks of the Kokchetav Massif, northern Kazakhstan

Abstract In the first extensive, systematic study of inclusions in zircons from ultrahigh-pressure (UHP) and high-pressure (HP) metamorphic rocks of the Kokchetav Massif of Kazakhstan (separated from 232 rock samples from all representative lithologies and geographic regions), we identified graphite, quartz, garnet, phengite, phlogopite, rutile, albite, K-feldspar, amphibole, zoisite, kyanite, calcite, dolomite, apatite, monazite, omphacite and jadeite, as well as the diagnostic UHP metamorphic minerals (i.e. microdiamond and coesite) by laser Raman spectroscopy. In some instances, coesite + quartz and diamond + graphite occur together in a single rock sample, and inclusion aggregates also comprise polycrystalline diamond crystals overgrowing graphite. Secondary electron microscope and cathodoluminescence studies reveal that many zircons display distinct zonation textures, which comprise core and wide mantle, each with distinctive inclusion microassemblages. Pre-UHP metamorphic minerals such as graphite, quartz, phengite and apatite are common in the core, whereas diamond, coesite, garnet and jadeite occupy the mantle. The inclusions in core are irrelevant to the UHP metamorphism. The zircon core is of detrital or relatively low-grade metamorphic origin, whereas the mantle is of HP to UHP metamorphic origin. The zonal arrangement of inclusions and the presence of coesite and diamond without back-reaction imply that aqueous fluids were low to absent within the zircons during both prograde and retrograde metamorphism, and that the zircon preserves a prograde pressure–temperature record of the Kokchetav metamorphism which, elsewhere, has been more or less obliterated in the host rock.     

A new high-pressure phase of spinel

A new phase which is much denser than the component oxides of spinel (MgAl₂O₄) was synthesised at loading pressures greater than 250 kbar and at about 1000°C in a diamond-anvil press coupled with laser heating. The new phase (ε-MgAl₂O₄) was indexed on the basis of an orthorhombic cell with a = 8.507 ± 0.004, b = 2.740 ± 0.003, c = 9.407 ± 0.005Å, and Z = 4 at room temperature and 1 bar pressure. Thus the molar volume for ε-MgAl₂O₄ at the above conditions was calculated to be 33.01 ± 0.07 cm³, which is 10.3% less than that of the mixture corundum plus periclase. The dense phase of spinel found in shock-wave experiments can be reasonably interpreted as ε-MgAl₂O₄, and this may be a potentially important mineral component of the earth's lower mantle. The new structure may also provide a possible candidate for the dense phases of Fe₃O₄ and Mg₂SiO₄ which were found by shock experiments.     

Tectonic evolution of the ultrahigh-pressure (UHP) and high-pressure (HP) metamorphic belts from central China

Abstract In the Triassic suture between the Sino-Korean and Yangtze cratons, the Dabie metamorphic Complex in central China includes three tectonic units: the northern Dabie migmatitic terrane, the central ultrahigh-P coesite- and diamond-bearing eclogite belt, and the southern high-P blueschist-eclogite belt. This complex is bounded to the north by a north-dipping normal fault with a Paleozoic accretionary complex and to the south by a north-dipping reverse fault with Yangtze basement plus its foreland fold-and-thrust sequence. Great differences in metamorphic pressure suggests that these units reached different depths during metamorphism and their juxtaposition occurred by wedge extrusion of subducted old continental fragments. These units were subsequently subjected to (i) Barrovian type regional metamorphism and deformation at shallow depths; (ii) intrusion of Cretaceous granitic plutons; and (iii) doming and segmentation into several blocks by normal and strike-slip faults. A new speculative model of tectonic exhumation of UHP rocks is proposed.     

K–Ar age–chemistry–fabric relations of phengite from the Sanbagawa high-pressure schists, Japan

The Sanbagawa high-pressure schists from central Shikoku in Southwest Japan have experienced high-strain ductile deformation during exhumation and cooling. This study examines the effects of high-strain ductile deformation on K–Ar ages of phengites on the basis of fabric, chemistry and K–Ar ages of phengites from the pelitic, psammitic and quartzose (or albitic) schists collected from the same outcrop in the albite–biotite zone. Phengites in the pelitic and psammitic schists generally occur forming aggregates consisting of fine-grained phengite crystals and are extremely fine-grained in domains close to relatively rigid garnet and albite porphyroblasts, indicating that deformation-induced grain-size reduction had taken place in phengite during the ductile deformation accompanying the exhumation of host schists. We suggest that the grain-size reduction of phengite is due to strain-induced recrystallization or dynamic recrystallization. The matrix phengites in schists are chemically heterogeneous on the thin-section scale but the phengites from pelitic and psammitic schists from the same outcrop have similar chemical range. Phengite included in garnet has a high Si value and its Na/(Na + K) and Mg/(Mg + Fe) ratios are significantly low in comparison with those in matrix. The phengite included in garnet records the chemistry in equilibrium with other major silicate phases during the higher pressure stage of the P–T–t history of the schists. In contrast, the matrix phengites having low Si values are likely to have been formed during retrograde metamorphism in extremely restricted equilibrium domains. The two or three different types of schists from the same outcrop, which have a similar grain size of phengite, have similar K–Ar ages, suggesting that the closure temperature does not depend on chemistry. However, the hematite-rich quartzose schist with strong grain-size reduction of both phengite and quartz has a significantly younger K–Ar phengite age than the pelitic and quartzose schists in the same outcrop that do not show grain-size reduction. We suggest that the exhumation tectonics of the schists, which have experienced strong ductile deformation at temperatures less than ~350°C, played an important role resulting in the observed variation in age.     

Calibration of the high-pressure cohesive strength meter (CSM)

Coastal erosion is an immense economic and social problem that has been receiving increased attention in recent years. A number of devices have been developed to determine the sediment stability in coastal areas: laboratory and field flumes; a range of different erosion devices; shear vanes and fall cone penetrometers. The cohesive strength meter (CSM) erosion device was developed to determine in situ the temporal and spatial variations in the erosion threshold of muddy intertidal sediments. Technological developments have enabled considerable improvements to be made to the original design over the last 15 years.