Seismic velocities of CaSiO3 perovskite can explain LLSVPs in Earth's lower mantle.

Seismology records the presence of various heterogeneities throughout the lower mantle1,2, but the origins of these signals-whether thermal or chemical-remain uncertain, and therefore much of the information that they hold about the nature of the deep Earth is obscured. Accurate interpretation of observed seismic velocities requires knowledge of the seismic properties of all of Earth's possible mineral components. Calcium silicate (CaSiO3) perovskite is believed to be the third most abundant mineral throughout the lower mantle. Here we simultaneously measure the crystal structure and the shear-wave and compressional-wave velocities of samples of CaSiO3 perovskite, and provide direct constraints on the adiabatic bulk and shear moduli of this material. We observe that incorporation of titanium into CaSiO3 perovskite stabilizes the tetragonal structure at higher temperatures, and that the material's shear modulus is substantially lower than is predicted by computations3-5 or thermodynamic datasets6. When combined with literature data and extrapolated, our results suggest that subducted oceanic crust will be visible as low-seismic-velocity anomalies throughout the lower mantle. In particular, we show that large low-shear-velocity provinces (LLSVPs) are consistent with moderate enrichment of recycled oceanic crust, and mid-mantle discontinuities can be explained by a tetragonal-cubic phase transition in Ti-bearing CaSiO3 perovskite.

Hyper-expanded interlayer separations in superconducting barium intercalates of FeSe.

Intercalation of Ba in ß-FeSe by ammonothermal synthesis results in the formation of different superconducting phases with interlayer distance ranging between 8.4 and 13.1 Å. The values of Tc are primarily dependent on Ba content, and are further modulated by the interlayer spacing through facile intercalation and deintercalation of ammonia.

Role of disorder in the thermodynamics and atomic dynamics of glasses.

We measured the density of vibrational states (DOS) and the specific heat of various glassy and crystalline polymorphs of SiO2. The typical (ambient) glass shows a well-known excess of specific heat relative to the typical crystal (α-quartz). This, however, holds when comparing a lower-density glass to a higher-density crystal. For glassy and crystalline polymorphs with matched densities, the DOS of the glass appears as the smoothed counterpart of the DOS of the corresponding crystal; it reveals the same number of the excess states relative to the Debye model, the same number of all states in the low-energy region, and it provides the same specific heat. This shows that glasses have higher specific heat than crystals not due to disorder, but because the typical glass has lower density than the typical crystal.

Equivalence of the boson peak in glasses to the transverse acoustic van Hove singularity in crystals.

We compare the atomic dynamics of the glass to that of the relevant crystal. In the spectra of inelastic scattering, the boson peak of the glass appears higher than the transverse acoustic (TA) singularity of the crystal. However, the density of states shows that they have the same number of states. Increasing pressure causes the transformation of the boson peak of the glass towards the TA singularity of the crystal. Once corrected for the difference in the elastic medium, the boson peak matches the TA singularity in energy and height. This suggests the identical nature of the two features.

Absence of pressure-induced amorphization in LiKSO4.

Angle-resolved synchrotron radiation diffraction was used to investigate lithium potassium sulfate (LiKSO(4)) crystals under high pressure. We confirm that the title compound undergoes three phase transitions, α →ß, ß â†’ γ and γ →δ, observed at around 0.8 GPa, 4.0 GPa and 7.0 GPa, respectively. Two competitive structures are proposed for the ß-phase after powder diffraction data Rietveld refinements: an orthorhombic (space group Cmc 2(1)) or a monoclinic (space group Cc) structure. These structures correspond to the models of the low temperature phases. The γ-phase is indexed by a monoclinic structure. Finally, the δ-phase is found to be highly disordered. No evidence of any pressure-induced amorphous phase was observed up to 24 GPa, even under imposed highly non-hydrostatic conditions, contrary to previous propositions.

Symmetry breaking of ionic semiconductors under pressure: the case of InAs.

The NaCl-to-Cmcm phase transition and the Cmcm structure of InAs under high pressure are studied by x-ray diffraction. The lattice parameters and fractional coordinates are given as a function of pressure. We propose a mechanism responsible for this type of symmetry breaking under pressure. We show that the ppσ interactions do not play a major role in the stabilization of the NaCl structure. Consequently the NaCl-to-Cmcm transition occurs only in compounds with a large charge transfer. General conclusions on the behavior of III-V semiconductors under pressure are drawn.

Noblest of all metals is structurally unstable at high pressure.

In a series of experiments in externally electrically heated diamond anvil cells we demonstrate that at pressures above approximately 240 GPa gold adopts a hexagonal-close-packed structure. Ab initio calculations predict that at pressures about 250 GPa different stacking sequences of close-packed atomic layers in gold become virtually degenerate in energy, strongly supporting the experimental observations.

Effect of densification on the density of vibrational states of glasses.

We studied the effect of densification on the vibrational dynamics of a Na(2)FeSi(3)O(8) glass. The density of vibrational states (DOS) has been measured using nuclear inelastic scattering. The corresponding changes in the microscopic, intermediate-range, and macroscopic properties have also been investigated. The results reveal that, in the absence of local structure transformations, the Debye level and the glass-specific excess of vibrational states above it have the same dependence on density, and the evolution of the DOS is fully described by the transformation of the elastic medium.

Density of vibrational states of a hyperquenched glass.

The vibrational density of states of a hyperquenched and an annealed glass has been measured using nuclear inelastic scattering. The hyperquenched sample shows a higher number of vibrational states in the low-energy region with respect to the annealed glass. It reveals, however, lower density and sound velocity and, therefore, smaller Debye energy. After rescaling the energy axes in Debye energy units and area renormalization, the density of states of both samples becomes identical. Thus, the effect of quenching is described by the transformation of the continuous medium.

Beating the miscibility barrier between iron group elements and magnesium by high-pressure alloying.

Iron and magnesium are almost immiscible at ambient pressure. The low solubility of Mg in Fe is due to a very large size mismatch between the alloy components. However, the compressibility of Mg is much higher than that of Fe, and therefore the difference in atomic sizes between elements decreases dramatically with pressure. Based on the predictions of ab initio calculations, we demonstrate in a series of experiments in a multianvil apparatus and in electrically and laser-heated diamond anvil cells that high pressure promotes solubility of magnesium in iron. At the megabar pressure range, more than 10 at. % of Mg can dissolve in Fe and then the alloy can be quenched to ambient conditions. A generality of the concept of high-pressure alloying between immiscible elements is demonstrated by its application to two other Fe group elements, Co and Ni.

Development of a new state-of-the-art beamline optimized for monochromatic single-crystal and powder X-ray diffraction under extreme conditions at the ESRF.

A new state-of-the art synchrotron beamline fully optimized for monochromatic X-ray diffraction at high pressure and high (or low) temperature is presented. In comparison with the old high-pressure beamline ID30, this new beamline exhibits outstanding performance in terms of photon flux and focusing capabilities. The main components of this new instrument will be described in detail and compared with the performance of beamline ID30. In particular, the choices in terms of X-ray source, X-ray optics, sample environment and detectors are discussed. The first results of the beamline commissioning are presented.

Nature of the first-order phase transition in fluid phosphorus at high temperature and pressure.

An in situ x-ray diffraction experiment has been performed on phosphorus to characterize the liquid-liquid transition which occurs at high temperature and pressure. The transition line has been measured over an extended temperature range up to 2200 degrees C at 0.3 GPa. From the shape of this line, a thermodynamic characterization of the transition is obtained in terms of latent heat and internal energy change. Moreover, the addition of the high-pressure high-temperature data to the known phase diagram of phosphorus allows us to conclude that this is a first-order transition between a dense molecular fluid and a polymeric liquid.

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.

Breakdown of intermediate-range order in liquid GeSe(2) at high pressure.

Studies of liquids with tetrahedral coordination, particularly during compression or quenching, have indicated the existence of distinct phases in the liquid state, distinguishable by density and local structure. In systems that exhibit critical phenomena in the supercooled state, anomalous behaviour of the compressibility is also anticipated above the critical point, as revealed by simulations of water. Liquid GeSe(2) is a potentially attractive system for studying both types of phenomena, given its two-dimensional tetrahedral structure and anomalous physical properties (including a density minimum near its melting point). Here we report in situ X-ray diffraction measurements of solid and liquid GeSe(2) at high temperature and high pressure, revealing that the structure of the liquid is sensitive to pressure and that anomalous compressibility is expected. During compression of liquid GeSe(2), the connectivity of the liquid changes from two- to three-dimensional, leading to a breakdown of the intermediate-range order. The gradual change in structure above the melting line may develop to a first-order liquid-liquid transition in the supercooled regime.

A comparison of amlodipine with enalapril in the treatment of moderate/severe hypertension.

1. The safety and efficacy of amlodipine vs enalapril as monotherapy was evaluated in patients with moderate/severe hypertension (supine DBP 105-125 mm Hg, SBP 140-220 mm Hg). 2. After 2 weeks placebo treatment 31 patients were randomised by the technique of minimisation in an observer-blind study to receive once daily treatment with either amlodipine (15 patients) 5-10 mg, or enalapril (16 patients) 5-20 mg for 8 weeks. The study design concluded with 2 weeks placebo treatment. In addition to clinic measurements, home blood pressure monitoring (Copal UA-251) was performed during the study. 3. Clinic supine systolic blood pressure was reduced from 177 to 152 mm Hg (amlodipine) and 183 to 169 mm Hg (enalapril) (95% CI for the intergroup difference -22.1, 0.3, P = 0.06) after 8 weeks treatment. 4. Clinic supine diastolic blood pressure was reduced from 110 to 93 mm Hg (amlodipine) and 109-102 mm Hg (enalapril) (95% CI for the intergroup difference -17.7, -2.7, P < 0.01) after 8 weeks treatment. 5. Home blood pressure recordings confirmed these reductions in blood pressure. Although the reduction in blood pressure was greater for the amlodipine treated group, the differences between treatments were not statistically significant. 6. Both drugs were reasonably well tolerated. The adverse events occurring most frequently in the amlodipine group were headache (5), peripheral oedema (3), upper respiratory infection (3) and anxiety (2). The adverse events occurring most frequently in the enalapril treated patients were headache (6), dizziness (3) and upper respiratory infection (2).

A comparison of amlodipine with enalapril in the treatment of isolated systolic hypertension.

1. The safety and efficacy of amlodipine and enalapril were compared in patients with isolated systolic hypertension (supine DBP < 95 mm Hg and supine SBP 160-200 mm Hg). 2. After 2 weeks treatment with placebo 31 patients were randomised by the technique of minimisation in an observer-blind study to receive once daily treatment with either amlodipine (16 patients) or enalapril (15 patients) for 8 weeks. The study design concluded with 2 weeks placebo treatment. In addition to clinic measurements, home blood pressure monitoring (Copal UA-251) was performed during the study. 3. Mean supine systolic blood pressure was reduced from 185 to 164 mm Hg (amlodipine) and 183 to 159 mm Hg (enalapril) (95% CI for the difference between the drugs -10.5, 15.3) after 8 weeks treatment. 4. Mean supine diastolic blood pressure was reduced from 86 to 80 mm Hg (amlodipine) and 88 to 80 mm Hg (enalapril) (95% CI for the difference between the drugs -4.9, 7.6) after 8 weeks treatment. 5. Home blood pressure recordings confirmed these reductions in blood pressure, although there was no significant difference between treatments for the reductions in blood pressure. 6. Both drugs were reasonably well tolerated. The adverse events occurring most frequently in the amlodipine group were headache (2), peripheral oedema (5) and palpitations (2). The adverse events occurring most frequently in the enalapril group were headache (2), peripheral oedema (2), palpitations (2) and dizziness (3).