Crystal structures at megabar pressures determined by use of the cornell synchrotron source

X-ray diffraction studies have been carried out on alkali halide samples 10 micrometers in diameter (volume 10(-9) cubic centimeter) subjected to megabar pressures in the diamond anvil cell. Energy-dispersive techniques and a synchrotron source were used. These measurements can be used to detect crystallographic phase transitions. Cesium iodide was subjected to pressures of 95 gigapascals (fractional volume of 46 percent) and rubidium iodide to pressures of 89 gigapascals (fractional volume of 39 percent). Cesium iodide showed a transformation from the cubic B2 phase (cesium chloride structure) to a tetragonal phase and then to an orthorhombic phase, which was stable to 95 gigapascals. Rubidium iodide showed only a transition from the low-pressure cubic B1 phase (sodium chloride structure) to the B2 phase, which was stable up to 89 gigapascals.     

Phase transition of FeO and stratification in Earth's outer core

Light elements such as oxygen in Earth's core influence the physical properties of the iron alloys that exist in this region. Describing the high-pressure behavior of these materials at core conditions constrains models of core structure and dynamics. From x-ray diffraction measurements of iron monoxide (FeO) at high pressure and temperature, we show that sodium chloride (NaCl)-type (B1) FeO transforms to a cesium chloride (CsCl)-type (B2) phase above 240 gigapascals at 4000 kelvin with 2% density increase. The oxygen-bearing liquid in the middle of the outer core therefore has a modified Fe-O bonding environment that, according to our numerical simulations, suppresses convection. The phase-induced stratification is seismologically invisible but strongly affects the geodynamo.     

Baddeleyite-Type High-Pressure Phase of TiO2

A high-pressure phase of TiO(2), which had been observed by shock-wave experiments and remained unresolved, has been studied by in situ x-ray diffraction. The single phase was formed at 20 gigapascals and 770 degrees C with the use of sintered-diamond multianvils; it has the same structure as baddeleyite, the stable phase of ZrO(2) at ambient conditions. The coordination number of Ti increases from six to seven across the rutile to baddeleyite transition, and the volume is reduced by approximately 9 percent.     

A High-Pressure Test of Birch's Law

The compressional wave velocities of polycrystalline NaCl and KCl have been measured to over 17 gigapascals, with the use of Brillouin scattering and the diamond anvil cell. This pressure corresponds to 40% compression for NaCl and 60% compression for KCl (including the volume change across the B1-B2 transition). The data obey Birch's Law, which predicts that the velocity of each material is linear with density, except across the B1-B2 phase transition in KCl. This deviation from Birch's Law can be rationalized in terms of an interatomic potential model wherein the vibrational frequencies of the nearest neighbor bonds decrease when going to the eight-coordinated B2 structure from the six-coordinated B1 structure.     

Structural and bonding changes in cesium iodide at high pressures

Cesium iodide, a simple ionic salt at low pressures, undergoes a second-order transformation at 40 gigapascals (400 kilobars) from the cubic B2 (cesium chloride-type) structure to the body-centered tetragonal structure. Also, the energy gap between valence and conduction bands decreases from 6.4 electron volts at zero pressure to about 1.7 electron volts at 60 gigapascals, transforming cesium iodide from a highly ionic compound to a semiconductor. The structural transition increases the rate at which the band gap closes, and an extrapolation suggests that cesium iodide becomes metallic near (or somewhat above) 100 gigapascals. Similar changes in bonding character are likely to occur in other alkali halides at pressures above 100 gigapascals.     

A high-pressure structure in curium linked to magnetism

Curium lies at the center of the actinide series and has a half-filled shell with seven 5f electrons spatially residing inside its radon core. As a function of pressure, curium exhibits five different crystallographic phases up to 100 gigapascals, of which all but one are also found in the preceding element, americium. We describe here a structure in curium, Cm III, with monoclinic symmetry, space group C2/c, found at intermediate pressures (between 37 and 56 gigapascals). Ab initio electronic structure calculations agree with the observed sequence of structures and establish that it is the spin polarization of curium's 5f electrons that stabilizes Cm III. The results reveal that curium is one of a few elements that has a lattice structure stabilized by magnetism.     

High-Pressure Iron-Sulfur Compound, Fe3S2, and Melting Relations in the Fe-FeS System

An iron-sulfur compound (Fe3S2) was synthesized at pressures greater than 14 gigapascals in the system Fe-FeS. The formation of Fe3S2 changed the melting relations from a simple binary eutectic system to a binary system with an intermediate compound that melted incongruently. The eutectic temperature in the system at 14 gigapascals was about 400°C lower than that extrapolated from Usselman's data, implying that previous thermal models of Fe-rich planetary cores could overestimate core temperature. If it is found in a meteorite, the Fe3S2 phase could also be used to infer the minimum size of a parent body.     

Effect of a Coordination Change on the Strength of Amorphous SiO2

Measurements of the yield strength of SiO(2) glass to pressures as high as 81 gigapascals at room temperature show that the strength of amorphous silica decreases significantly as it is compressed to denser strctures with higher coordination. Above 27 gigapascals, as the silicon in amorphous SiO(2) is continuously transformed from fourfold to sixfold coordination, the strength of the glass decrases by more than an order of magnitude. These data confirm theoretical predictions that the mechanical properties of polymerized amorphous silicates are sensitive to pressure-induced structural transformations and suggest that the viscosity of silica-rich liquids decreases significantly at high pressures. Such a change in melt rheology could enhance the processes of chemical differentiation with depth in the Earth's mantle.     

Stability of Perovskite (MgSiO3) in the Earth's Mantle

Available thermodynamic data and seismic models favor perovskite (MgSiO3) as the stable phase in the mantle. MgSiO3 was heated at temperatures from 1900 to 3200 kelvin with a Nd-YAG laser in diamond-anvil cells to study the phase relations at pressures from 45 to 100 gigapascals. The quenched products were studied with synchrotron x-ray radiation. The results show that MgSiO3 broke down to a mixture of MgO (periclase) and SiO2 (stishovite or an unquenchable polymorph) at pressures from 58 to 85 gigapascals. These results imply that perovskite may not be stable in the lower mantle and that it might be necessary to reconsider the compositional and density models of the mantle.     

配方施肥对八角幼林生长结实的影响

采用4因素3水平的正交试验设计,研究了配方施肥对八角幼林产量、树高、冠幅和地径的影响。经直观分析和方差分析进行综合评价,结果表明,八角幼林产量最佳施肥比例是K2B1N3P3即(氯化钾250g·株-1、硼肥25g·株-1、尿素489.1g·株-1、钙镁磷肥833.3g·株-1),树高增长最佳施肥比例是N3K2P2B2即(尿素489.1g·株-1、氯化钾250g·株-1、钙镁磷肥555.6g·株-1、硼肥50g·株-1),冠幅增大最佳施肥比例是N3P3K2B1即(尿素489.1g·株-1、钙镁磷肥833.3g·株-1、氯化钾250g·株-1、硼肥25g·株-1),地径增粗最佳施肥比例是K3P3B3N1即(氯化钾375g·株-1、钙镁磷肥833.3g·株-1、硼肥75g·株-1、尿素163g·株-1)。     

Melting Temperature and Partial Melt Chemistry of H2O-Saturated Mantle Peridotite to 11 Gigapascals

The H2O-saturated solidus of a model mantle composition (Kilborne Hole peridotite nodule, KLB-1) was determined to be just above 1000°C from 5 to 11 gigapascals. Given reasonable H2O abundances in Earth's mantle, an H2O-rich fluid could exist only in a region defined by the wet solidus and thermal stability limits of hydrous minerals, at depths between 90 and 330 kilometers. The experimental partial melts monotonously became more mafic with increasing pressure from andesitic composition at 1 gigapascal to more mafic than the starting peridotite at 10 gigapascals. Because the chemistry of the experimental partial melts is similar to that of kimberlites, it is suggested that kimberlites may be derived by low-temperature melting of an H2O-rich mantle at depths of 150 to 300 kilometers.     

Pressure-induced enhancement of tc above 150 k in hg-1223

The recently discovered homologous series HgBa(2)Can-1 Cun O2n+2+delta possesses remarkable properties. A superconducting transition temperature, T(c), as high as 133 kelvin has been measured in a multiphase Hg-Ba-Ca-Cu-O sample and found to be attributable to the Hg-1223 compound. Temperature-dependent electrical resistivity measurements under pressure on a (> 95%) pure Hg-1223 phase are reported. These data show that T(c) increases steadily with pressure at a rate of about 1 kelvin per gigapascal up to 15 gigapascals, then more slowly and reaches a T(c) = 150 kelvin, with the onset of the transition at 157 kelvin, for 23.5 gigapascals. This large pressure variation (as compared to the small effects observed in similar compounds with the optimal T(c)) strongly suggests that higher critical temperatures could be obtained at atmospheric pressure.     

Compression of Ice to 210 Gigapascals: Infrared Evidence for a Symmetric Hydrogen-Bonded Phase

Protonated and deuterated ices (H2O and D2O) compressed to a maximum pressure of 210 gigapascals at 85 to 300 kelvin exhibit a phase transition at 60 gigapascals in H2O ice (70 gigapascals in D2O ice) on the basis of their infrared reflectance spectra determined with synchrotron radiation. The transition is characterized by soft-mode behavior of the nu3 O-H or O-D stretch below the transition, followed by a hardening (positive pressure shift) above it. This behavior is interpreted as the transformation of ice phase VII to a structure with symmetric hydrogen bonds. The spectroscopic features of the phase persisted to the maximum pressures (210 gigapascals) of the measurements, although changes in vibrational mode coupling were observed at 150 to 160 gigapascals.     

Melting of (Mg,Fe)2SiO4 at the Core-Mantle Boundary of the Earth

The lower mantle of the Earth is believed to be largely composed of (Mg,Fe)O (magnesiowustite) and (Mg,Fe)SiO3 (perovskite). Radiative temperatures of single-crystal olivine [(Mg0.9,Fe0.1)2SiO4] decreased abruptly from 7040 +/- 315 to 4300 +/- 270 kelvin upon shock compression above 80 gigapascals. The data indicate that an upper bound to the solidus of the magnesiowustite and perovskite assemblage at 4300 +/- 270 kelvin is 130 +/- 3 gigapascals. These conditions correspond to those for partial melting at the base of the mantle, as has been suggested occurs within the ultralow-velocity zone beneath the central Pacific.     

Lithium, compression and high-pressure structure

Lithium is found to transform from a body-centered cubic (bcc) to a face-centered cubic (fcc) structure at 6.9 gigapascals (69 kilobars) and 296 kelvin. The relative volume of the bcc structured lithium at 6.9 gigapascals is 0.718, and the fcc structure is 0.25 percent denser. The bulk modulus and its pressure derivative for the bcc structure are 11.57 gigapascals and 3.4, and for the fcc structure are 13.1 gigapascals and 2.8. Extrapolation of the bcc-fcc phase boundary and the melting curve indicate a triple point around 15 gigapascals and 500 kelvin.     

Ultrasonic shear wave velocities of MgSiO3 perovskite at 8 GPa and 800 K and lower mantle composition

Ultrasonic interferometric measurements of the shear elastic properties of MgSiO3 perovskite were conducted on three polycrystalline specimens at conditions up to pressures of 8 gigapascals and temperatures of 800 kelvin. The acoustic measurements produced the pressure (P) and temperature (T) derivatives of the shear modulus (G), namely ( partial differentialG/ partial differentialP)T = 1.8 +/- 0.4 and ( partial differentialG/ partial differentialT)P = -2.9 +/- 0.3 x 10(-2) gigapascals per kelvin. Combining these derivatives with the derivatives that were measured for the bulk modulus and thermal expansion of MgSiO3 perovskite provided data that suggest lower mantle compositions between pyrolite and C1 carbonaceous chondrite and a lower mantle potential temperature of 1500 +/- 200 kelvin.     

Polymorphs of Alumina Predicted by First Principles: Putting Pressure on the Ruby Pressure Scale

Fully optimized quantum mechanical calculations indicate that Al2O3 transforms from the corundum structure to the as yet unobserved Rh2O3 (II) structure at about 78 gigapascals, and it further transforms to Pbnm-perovskite structure at 223 gigapascals. The predicted x-ray spectrum of the Rh2O3 (II) structure is similar to that of the corundum structure, suggesting that the Rh2O3 (II) structure could go undetected in high-pressure x-ray measurements. It is therefore possible that the ruby (Cr3+-doped corundum) fluorescence pressure scale is sensitive to the thermal history of the ruby chips in a given experiment.     

(Mg,Fe)SiO3-perovskite stability under lower mantle conditions

In three different experiments up to 100 gigapascals and 3000 kelvin, (Mg,Fe)SiO3-perovskite, the major component of the lower mantle, remained stable and did not decompose to its component oxides (Mg, Fe)O and SiO2. Perovskite was formed from these oxides when heated in a diamond anvil cell at pressures up to 100 gigapascals. Both MgSiO3 crystals and glasses heated to 3000 kelvin at 75 gigapascals also formed perovskite as a single phase, as evident from Raman spectra. Moreover, fluorescence measurements on chromium-doped samples synthesized at these conditions gave no indication of the presence of MgO.     

Serpentine stability to mantle depths and subduction-related magmatism

Results of high-pressure experiments on samples of hydrated mantle rocks show that the serpentine mineral antigorite is stable to approximately 720 degrees C at 2 gigapascals, to approximately 690 degrees C at 3 gigapascals, and to approximately 620 degrees C at 5 gigapascals. The breakdown of antigorite to forsterite plus enstatite under these conditions produces 13 percent H(2)O by weight to depths of 150 to 200 kilometers in subduction zones. This H(2)O is in an ideal position for ascent into the hotter, overlying mantle where it can cause partial melting in the source region for calc-alkaline magmas at a depth of 100 to 130 kilometers and a temperature of approximately 1300 degrees C. The breakdown of antigorite in hydrated mantle produces an order of magnitude more H(2)O than does the dehydration of altered oceanic crust.     

The nature of the interior of uranus based on studies of planetary ices at high dynamic pressure

Data from the Voyager II spacecraft showed that Uranus has a large magnetic field with geometry similar to an offset tilted dipole. To interpret the origin of the magnetic field, measurements were made of electrical conductivity and equation-of-state data of the planetary "ices" ammonia, methane, and "synthetic Uranus" at shock pressures and temperatures up to 75 gigapascals and 5000 K. These pressures and temperatures correspond to conditions at the depths at which the surface magnetic field is generated. Above 40 gigapascals the conductivities of synthetic Uranus, water, and ammonia plateau at about 20(ohm-cm)(-1), providing an upper limit for the electrical conductivity used in kinematic or dynamo calculations. The nature of materials at the extreme conditions in the interior is discussed.