共查询到17条相似文献,搜索用时 15 毫秒
1.
The phase and spin transitions in single-crystal monoclinic ferrosilite, FeSiO 3, were investigated using X-ray diffraction and Mössbauer spectroscopy up to lower-mantle pressures and room temperature in a helium pressure medium. Using single-crystal X-ray diffraction, we measured the equation of state of ferrosilite up to about 43 GPa. We observed a P2 1/ c-to- C2/ c phase transition between 1.5 and 1.7 GPa and a phase transition from C2/ c to a distinct P2 1/ c structure between 30 and 34 GPa. With time-domain Mössbauer spectroscopy, we determined the hyperfine parameters of ferrous iron up to 95 GPa. The phase transitions were correlated with discontinuities in Mössbauer spectral features. We observed the onset of high-spin-to-low-spin transitions in the M1 and M2 sites at ~37 GPa and ~74 GPa, respectively. Understanding the electronic structure of iron in a well-characterized single crystal of ferrosilite may help interpret the behavior of iron in complex dense silicate phases. 相似文献
2.
The structure of a natural melilite with chemical composition (Ca 1.87Sr 0.02Na 0.10K 0.02) 2.01(Mg 0.96Al 0.07) 1.03(Si 1.98Al 0.02) 2.00O 7 has been investigated by X-ray single-crystal diffraction methods within the temperature range 298–773 K. The values of the coefficient of the modulation wave vector were determined at 298 K, 323 K, 348 K, and 358 K. These values show a continuous linear decrease from 0.2833(6) at 298 K to 0.2763(9) at 358 K. The incommensurate phase undergoes a phase transition to the normal phase at 359 K. The refinements of the structure, carried out at 298 K, 348 K, 359 K, 373 K, 413 K, 463 K, 513 K, 573 K, 673 K, and 773 K, showed that the normal phase (high-temperature phase) does not significantly differ from the basic structure (the average structure of the incommensurate structure). This study confirms that in natural melilites with chemical composition close to that of åkermanite the wavelength of the incommensurate modulation increases when the temperature rises. The different behaviour of the q-vector as a function of temperature in natural and synthetic åkermanite is discussed. 相似文献
3.
The compression behavior of natural adamite [Zn 2AsO 4OH] has been investigated up to 11.07 GPa at room temperature utilizing in situ angle-dispersive X-ray diffraction and a diamond anvil cell. No phase transition has been observed within the pressure range investigated. A third-order Birch–Murnaghan equation of state fitted to all of the data points yielded V 0 = 430.1(4) Å 3, K 0 = 80(3) GPa, K′ 0 = 1.9(5). The K 0 was obtained as 69(1) GPa when K′ 0 was fixed at 4. Analysis of axial compressible moduli shows the intense compression anisotropy of adamite: K a0 = 37(3) GPa, K b0 = 153(6) GPa, K c0 = 168(8) GPa; hence, a axis is the most compressible and the compressibility of b and c axis is comparable. Furthermore, the comparisons among the compressional properties of adamite, libethenite (Cu 2PO 4OH, also belongs to olivenite group), and andalusite (Al 2SiO 4O has the similar structure with adamite) at high pressure were made. 相似文献
4.
This work is one of the stages of study of the deep C-O-H fluid and investigates the behavior of polycyclic aromatic hydrocarbons ( PAHs) under conditions of the Earth’s mantle. The composition of the C-O-H fluid in the upper mantle is estimated as a mixture of H 2O and CH 4 with a minor amount of H 2 and heavier hydrocarbons. Some theoretical calculations show that the stability of heavy hydrocarbons (alkanes, alkenes, and PAHs) increases with an increase in temperature. This paper presents the results of an XRD study of PAHs stability in multianvil presses on a Spring-8 accelerator (Japan). The primary compositions were chosen according to the abundance of PAHs in nature. In situ diffraction spectrums were recorded to determine the PAHs stability field. It was established that the PAHs become unstable at a pressure of 6–9 GPa and a temperature of 873–1073 K. 相似文献
6.
The structural evolution at high pressure of a natural 2 M 1-phengite [(K 0.98Na 0.02) Σ=1.00(Al 1.55Mg 0.24Fe 0.21Ti 0.02) Σ=2.01(Si 3.38Al 0.62)O 10(OH) 2; a = 5.228(2), b = 9.057(3), c = 19.971(6)Å, β = 95.76(2)°; space group: C2/ c] from the metamorphic complex of Cima Pal (Sesia Zone, Western Alps, Italy) was studied by single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions up to ~11 GPa. A series of 12 structure refinements were performed at selected pressures within the P range investigated. The compressional behaviour of the same phengite sample was previously studied up to ~25 GPa by synchrotron X-ray powder diffraction, showing an irreversible transformation with a drastic decrease of the crystallinity at P > 15–17 GPa. The elastic behaviour between 0.0001 and 17 GPa was modelled by a third-order Birch–Murnaghan Equation of State (BM-EoS), yielding to K T0 = 57.3(10) GPa and K′ = ? K T0/? P = 6.97(24). The single-crystal structure refinements showed that the significant elastic anisotropy of the 2 M 1-phengite (with β( a):β( b):β( c) = 1:1.17:4.60) is mainly controlled by the anisotropic compression of the K-polyhedra. The evolution of the volume of the inter-layer K-polyhedron as a function of P shows a negative slope, Fitting the P– V(K-polyhedron) data with a truncated second-order BM-EoS we obtain a bulk modulus value of K T0(K-polyhedron) = 26(1) GPa. Tetrahedra and octahedra are significantly stiffer than the K-polyhedron. Tetrahedra behave as quasi-rigid units within the P range investigated. In contrast, a monotonic decrease is observed for the octahedron volume, with K T0 = 120(10) GPa derived by a BM-EoS. The anisotropic response to pressure of the K-polyhedron affects the P-induced deformation mechanism on the tetrahedral sheet, consisting in a cooperative rotation of the tetrahedra and producing a significant ditrigonalization of the six-membered rings. The volume of the K-polyhedron and the value of the ditrigonal rotation parameter (α) show a high negative correlation (about 93%), though a slight discontinuity is observed at P >8 GPa. α increases linearly with P up to 7–8 GPa (with ?α/? P ≈ 0.7°/GPa), whereas at higher Ps a “saturation plateau” is visible. A comparison between the main deformation mechanisms as a function of pressure observed in 2 M 1- and 3 T-phengite is discussed. 相似文献
7.
In order to characterize the pressure-induced decomposition of ringwoodite (γ-Mg 2SiO 4), the topological analysis of the electron density ρ( r), based upon the theory of atoms in molecules (AIM) developed by Bader in the framework of the catastrophe theory, has been
performed. Calculations have been carried out by means of the ab initio CRYSTAL09 code at the HF/DFT level, using Hamiltonians
based on the Becke- LYP scheme containing hybrid Hartree–Fock/density functional exchange–correlation terms. The equation
of state at 0 K has been constructed for the three phases involved in the post-spinel phase transition (ringwoodite → Mg-perovskite + periclase)
occurring at the transition zone–lower mantel boundary. The topological results show that the decomposition of the ringwoodite
at high pressures is caused by a conflict catastrophe. Furthermore, topological evidences of the central role played by the
oxygen atoms to facilitate the pressure-induced ringwoodite decomposition and the subsequent phase transition have been noticed. 相似文献
8.
Global geomagnetic data are inverted for detecting a high-conductivity layer at depths of 1500–2000 km to test the hypothesis of a magnesiowüstite phase transition in the lower mantle. We present the results of processing of both synthetic and global data—average monthly values of the geomagnetic field from 1920 to 2009. The inverted global data are consistent with the possible existence of a high-conductivity layer at great depths in the lower mantle. 相似文献
9.
This paper investigates the particle breakage behaviour of a carbonate sand based on single-particle compression experiments with in situ X-ray microtomography scanning (μCT) and a combined finite–discrete element method (FDEM). Specifically, X-ray μCT is applied to extract the information on grain morphology and intra-particle pores of carbonate sand particles to establish an FDEM model. The model is first calibrated by comparing the simulation results of two carbonate sand grains with the corresponding single-particle compression experiment results and then applied to model the stress evolution, cracking propagation and failure of other carbonate sand particles under single-particle compression. To study the influence of intra-particle pores, FDEM modelling of carbonate sands with completely filled intra-particle pores is also performed. The particle strength of carbonate sands both with and without pore filling is found to follow a Weibull distribution, with that of the sand with pore filling being considerably higher. This behaviour is associated with lower stress concentration, resulting in later crack development in the pore-filled sand than in the sand without pore filling. The cracks are found to usually pass through the intra-particle pores. Consequently, a larger proportion of particles fail in the fragmentation mode in the sand without pore filling. 相似文献
10.
In situ synchrotron X-ray experiments in the system SnO 2 were made at pressures of 4–29 GPa and temperatures of 300–1400 K using sintered diamond anvils in a 6–8 type high-pressure
apparatus. Orthorhombic phase (α-PbO 2 structure) underwent a transition to a cubic phase ( Pa3ˉ structure) at 18 GPa. This transition was observed at significantly lower pressures in DAC experiments. We obtained the
isothermal bulk modulus of cubic phase K
0 = 252(28) GPa and its pressure derivative K
′=3.5(2.2). The thermal expansion coefficient of cubic phase at 25 GPa up to 1300 K was determined from interpolation of the
P-V-T data obtained, and is 1.7(±0.7) × 10 −5 K −1 at 25 GPa.
Received: 7 December 1999 / Accepted: 27 April 2000 相似文献
11.
Atmospheric PM 2.5 samples were collected by using Mini-Vol TAS air sampler. Samples were characterized directly on the collecting substrate using X-ray diffraction and scanning electron microscopy–energy dispersive spectrometer. From the analysis, it was found that Si dominate over other elements which follows the trend as Si > S > Zn > Cu > Na > Al > K > Ca > P > Fe > Mg > Ti. Based on the measurements of a population of 840 particles, particle morphology was determined by quantitative image analyzer and value of roundness ( R) varies from 0.23 to 1.0 (mean 0.75) which suggests that particles vary in shape from nearly irregular to perfectly spherical shape. The mineral particulate matter identified in the atmosphere of Pune was made up of: silicates (52 %), oxides (22 %), sulfates (8 %), phosphates (7 %), carbonates (3 %) and others. A factorial analysis was carried out to determine the main elements related to the emission sources such as soil and building material erosion (~44.6 %); oil combustion (20.6 %) and fuel and biomass burning (18.3 %). Besides these factors, soot particles are abundantly present in all studied samples. Mineral particles such as sulfates aggregated to soot could have produced localized climatic effect in Pune. The emphasis of the present study is to give insight and detailed analysis of morphological and chemical composition of atmospheric particles at discrete level. 相似文献
13.
The phase transition boundary between the face-centered cubic ( fcc) structure and hexagonal close-packed ( hcp) structure in an Fe–Ni alloy was determined at pressures from 25 to 107 GPa by using an internally resistive-heated diamond
anvil cell (DAC), combined with in situ synchrotron X-ray diffraction measurements. The fcc– hcp phase transition boundary in Fe–9.7 wt% Ni is located at slightly lower temperatures than that in pure Fe, confirming the
previous understanding that the addition of Ni expands the stability field of the fcc phase. The d P/d T slope of the boundary was determined to be 0.0426 GPa/K, which is slightly larger than that of pure Fe. The pressure interval
of the two-phase region is about 6 GPa at a constant temperature, implying that the previous estimates by laser-heated DAC
experiments of 10–20 GPa were overestimated. The two-phase region of fcc + hcp would be limited to a pressure of about 120 GPa even in Fe–15 wt%Ni, excluding the possibility of the existence of the fcc phase in the inner core if the simple linear extrapolation of the two-phase region is applied. The pressure and temperature
dependences of the c/a axial ratio of the hcp phase in Fe–9.7 wt% Ni are generally consistent with those in pure Fe, suggesting that Ni has minor effects on the c/a ratio. 相似文献
14.
A method of in situ X-ray diffraction at Spring-8 (Japan) was used to analyze simultaneously the hydrogen incorporation into Fe and Fe 3C, as well as to measure the relative stability of carbides, nitrides, sulfides, and hydrides of iron at pressures of 6–20 GPa and temperatures up to 1600 K. The following stability sequence of individual iron compounds was established in the studied pressure and temperature interval: FeS > FeN > FeC > FeH > Fe. A change in the unit-cell volume as compared to the known equations of state was used to estimate the hydrogen contents in carbide Fe 3C and hydride FeH x. Data on hydride correspond to stoichiometry with x ≈ 1. Unlike iron sulfides and silicides, the solubility of hydrogen in Fe 3C seemed to be negligibly low—within measurement error. Extrapolating obtained data to pressures of the Earth’s core indicates that carbon and hydrogen are mutually incpompatible in the iron–nickel core, while nitrogen easily substitutes carbon and may be an important component of the inner core in the light of the recent models assuming the predominance of iron carbide in its composition. 相似文献
15.
We present the results of a comparative study in which we have measured Fe 3+/ΣFe ratios in chromites from mantle chromitites in the Oman ophiolite using Mössbauer spectroscopy and single-crystal X-ray diffraction. We have compared these results with ratios calculated from mineral stoichiometry and find that mineral stoichiometry calculations do not accurately reflect the measured Fe 3+/ΣFe ratios. We have identified three groups of samples. The majority preserve Fe 3+/ΣFe ratios which are thought to be magmatic, whereas a few samples are highly oxidized and have high Fe 3+/ΣFe ratios. There is also a group of partially oxidized samples. The oxidized chromites show anomalously low cell edge ( a 0) values and their oxygen positional parameters among the lowest ever found for chromites. Site occupancy calculations show that some chromites are non-stoichiometric and contain vacancies in their structure randomly distributed between both the T and M sites. The field relationships suggest that the oxidation of the magmatic chromitites took place in association with a ductile shear zone in mantle harzburgites. Primary magmatic Fe 3+/ΣFe ratios measured for the Oman mantle chromitites are between 0.193–0.285 (X-ray data) and 0.164–0.270 (Mössbauer data) and preserve a range of Fe 3+/ΣFe ratios which we propose is real and reflects differences in the composition of the magmas parental to the chromitites. The range of values extends from those MORB melts (0.16 ± 0.1) to those for arc basalts (0.22–0.28). 相似文献
16.
Single crystals of C–Na 2Si 2O 5 have been synthesized from the hydrothermal recrystallization of a glass. The title compound is monoclinic, space group P2 1/ c with Z= 8 and unit-cell parameters a= 4.8521 (4)Å, b=23.9793(16)Å, c=8.1410(6)Å, β=90.15(1)° and V=947.2(2)Å 3. The structure has been determined by direct methods and belongs to the group of phyllosilicates. It is based on layers of tetrahedra with elliptically six-membered rings in chair conformation. The sequence of directedness within a single ring is UDUDUD. The sheets are parallel to (010) with linking sodium cations in five- and sixfold coordination. Concerning the shape and the conformation of the rings, C–Na 2Si 2O 5 is closely related to β-Na 2Si 2O 5. However, both structures differ in the stacking sequences of the layers. A possible explanation for the frequently observed polysynthetic twinning of phase C is presented. In the 29Si MAS-NMR spectrum of C–Na 2Si 2O 5 four well-resolved lines of equal intensity are observed at ?86.0, ?86.3, ?87.4, and ?88.2?ppm. The narrow range of isotropic chemical shifts reflects the great similarity of the environments of the different Si sites. This lack of pronounced differences in geometry renders a reliable assignment of the resonance lines to the individual sites on the basis of known empiric correlations and geometrical features impossible. 相似文献
17.
Clinopyroxenes along the solid solution series hedenbergite (CaFeSi 2O 6)–petedunnite (CaZnSi 2O 6) were synthesized under hydrothermal conditions and different oxygen fugacities at temperatures of 700 to 1200 °C and pressures of 0.2 to 2.5 GPa. Properties were determined by means of X-ray diffraction, electron microprobe analysis and 57Fe Mössbauer spectroscopy at 298 K. Unit-cell parameters display a linear dependency with changing composition. Parameters a0 and b0 exhibit a linear decrease with increasing Zn content while the monoclinic angle increases linearly. Parameter c0 is not affected by composition and remains constant at a value of 5.248 Å. The molar volume can be described according to the equation Vmol (ccm mol –1)=33.963(16)–0.544(31)*Zn pfu. The isomer shifts of ferrous iron on the octahedral M1 site in hedenbergite are not affected by composition along the hedenbergite–petedunnite solid solution series and remain constant at an average value of 1.18 mm s –1. Quadrupole splittings of Fe 2+ on the M1 are, however, strongly affected by composition, and they decrease linearly with increasing petedunnite component in hedenbergite, ranging from 2.25 mm s –1 for pure hedenbergite end member to 1.99 mm s –1 for a solid solution containing 84 mole% petedunnite. The half-widths of intermediate solid solutions vary between 0.26 and 0.33 mm s –1, indicating, in accordance with the microprobe analyses and X-ray diffraction, that samples are homogeneous and well-crystallized. The data from this study demonstrate that the crystallinity of hedenbergitic clinopyroxenes can be improved by using oxide mixtures as starting materials. Crystal sizes for intermediate compositions range up to 70 m, suitable for standard single-crystal X-ray analysis.This paper is dedicated to Prof. Dr. Georg Amthauer, Salzburg, on occasion of his 60th birthday 相似文献
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