IR calibrations for water determination in olivine,r-GeO<Subscript>2</Subscript>, and SiO<Subscript>2</Subscript> polymorphs

Mineral-specific IR absorption coefficients were calculated for natural and synthetic olivine, SiO₂ polymorphs, and GeO₂ with specific isolated OH point defects using quantitative data from independent techniques such as proton–proton scattering, confocal Raman spectroscopy, and secondary ion mass spectrometry. Moreover, we present a routine to detect OH traces in anisotropic minerals using Raman spectroscopy combined with the “Comparator Technique”. In case of olivine and the SiO₂ system, it turns out that the magnitude of ε for one structure is independent of the type of OH point defect and therewith the peak position (quartz ε = 89,000 ± 15,000  \textl \textmol_{\textH2\textO}^-1 \textcm^-2\text{l}\,\text{mol}_{{\text{H}_2}\text{O}}^{-1}\,\text{cm}^{-2}), but it varies as a function of structure (coesite ε = 214,000 ± 14,000  \textl \textmol_{\textH2\textO}^-1 \textcm^-2\text{l}\,\text{mol}_{{\text{H}_2}\text{O}}^{-1}\,\text{cm}^{-2}; stishovite ε = 485,000 ± 109,000  \textl \textmol_{\textH2\textO}^-1 \textcm^-2\text{l}\,\text{mol}_{{\text{H}_2}\text{O}}^{-1}\,\text{cm}^{-2}). Evaluation of data from this study confirms that not using mineral-specific IR calibrations for the OH quantification in nominally anhydrous minerals leads to inaccurate estimations of OH concentrations, which constitute the basis for modeling the Earth’s deep water cycle.     

基于势流理论和OpenFOAM的耦合模型对多向不规则波浪的模拟

基于势流理论的数值水池可以快速计算波浪的传播及其对建筑物的作用,但是势流理论是基于波浪的无黏性假设的,而在工程中,通常需要在固体边界及波浪破碎的区域考虑黏性效应。针对基于求解Navier-Stokes方程的黏性水池计算量较大、速度较慢的缺点,采用耦合的方法模拟多向不规则波浪的传播,即在外域通过基于势流理论的数值水池产生多向不规则波浪,内域采用求解Navier-Stokes方程和流体体积法(VOF方法)对自由表面进行追踪,通过外域所提供的边界波浪,内域计算可以在较小区域进行计算,从而达到减少计算量、提高计算效率的目的。     

Petrologic insights from the spectra of the unbrecciated eucrites: Implications for Vesta and basaltic asteroids

Abstract– We investigate the relationship between the petrology and visible–near infrared spectra of the unbrecciated eucrites and synthetic pyroxene–plagioclase mixtures to determine how spectra obtained by the Dawn mission could distinguish between several models that have been suggested for the petrogenesis of Vesta’s crust (e.g., partial melting and magma ocean). Here, we study the spectra of petrologically characterized unbrecciated eucrites to establish spectral observables, which can be used to yield mineral abundances and compositions consistent with petrologic observations. No information about plagioclase could be extracted from the eucrite spectra. In contrast, pyroxene dominates the spectra of the eucrites and absorption band modeling provides a good estimate of the relative proportions of low‐ and high‐Ca pyroxene present. Cr is a compatible element in eucrite pyroxene and is enriched in samples from primitive melts. An absorption at 0.6 μm resulting from Cr³⁺ in the pyroxene structure can be used to distinguish these primitive eucrites. The spectral differences present among the eucrites may allow Dawn to distinguish between the two main competing models proposed for the petrogenesis of Vesta (magma ocean and partial melting). These models predict different crustal structures and scales of heterogeneity, which can be observed spectrally. The formation of eucrite Allan Hills (ALH) A81001, which is primitive (Cr‐rich) and relatively unmetamorphosed, is hard to explain in the magma ocean model. It could only have been formed as a quench crust. If the magma ocean model is correct, then ALHA81001‐like material should be abundant on the surface of Vesta and the Vestoids.     

The Cloud Ice Mountain Experiment (CIME) 1998: experiment overview and modelling of the microphysical processes during the seeding by isentropic gas expansion

The second field campaign of the Cloud Ice Mountain Experiment (CIME) project took place in February 1998 on the mountain Puy de Dôme in the centre of France. The content of residual aerosol particles, of H₂O₂ and NH₃ in cloud droplets was evaluated by evaporating the drops larger than 5 μm in a Counterflow Virtual Impactor (CVI) and by measuring the residual particle concentration and the released gas content. The same trace species were studied behind a round jet impactor for the complementary interstitial aerosol particles smaller than 5 μm diameter. In a second step of experiments, the ambient supercooled cloud was converted to a mixed phase cloud by seeding the cloud with ice particles by the gas release from pressurised gas bottles. A comparison between the physical and chemical characteristics of liquid drops and ice particles allows a study of the fate of the trace constituents during the presence of ice crystals in the cloud.In the present paper, an overview is given of the CIME 98 experiment and the instrumentation deployed. The meteorological situation during the experiment was analysed with the help of a cloud scale model. The microphysics processes and the behaviour of the scavenged aerosol particles before and during seeding are analysed with the detailed microphysical model ExMix. The simulation results agreed well with the observations and confirmed the assumption that the Bergeron–Findeisen process was dominating during seeding and was influencing the partitioning of aerosol particles between drops and ice crystals. The results of the CIME 98 experiment give an insight on microphysical changes, redistribution of aerosol particles and cloud chemistry during the Bergeron–Findeisen process when acting also in natural clouds.     

Hydrous olivine (Mg1? y? Fe2+y)2? x ?v x ? SiO4H2 x – a new DHMS phase of variable composition observed as nanometer-sized precipitations in mantle olivine

 An olivine grain from a peridotite nodule 9206 (Udachnaya kimberlite, Siberia) was investigated by TEM methods including AEM, HRTEM, SAED and EELS techniques. A previous study of the 9206 olivine sample revealed OH absorption bands in the IR spectrum and abundant nanometer-sized OH-bearing inclusions, of hexagonal-like or lamellar shape. Inclusions, which are several hundred nm in size, consist of 10 ? phase, talc and serpentine (chrysotile and lizardite). The lamellar (LI) and hexagon-like small inclusions of several ten nm in size (SI) are the topic of the present paper. AEM investigations of the inclusions reveal Mg, Fe and Si as cations only. The Mg/Si and Fe/Si atomic ratios are lower in the inclusions than in the host olivine. The Si concentration in the olivine host and both lamellar inclusions and small inclusions is the same. A pre-peak at 528eV was observed in EEL spectra of LI and SI, which is attributed to OH⁻ or Fe³⁺. From these data it is concluded that there is a OH⁻- or Fe³⁺-bearing cation-deficient olivine-like phase present. HRTEM lattice fringe images of LI and SI exhibit modulated band-like contrasts, which are superimposed onto the olivine lattice. Diffraction patterns (Fourier-transforms) of the HREM images as well as SAED patterns show that the band-like contrasts in HRTEM images of the inclusions are caused by periodic modulations of the olivine lattice. Three kinds of superperiodicity in the olivine structure such as 2a, 3a and 3c, were observed in SAED patterns. The corresponding olivine supercells labelled here as Hy-2a, Hy-3a and Hy-3c were derived. The M1-vacancies located in the (100) and (001) octahedral layers of the olivine lattice are suggested to form ordered arrays of planar defects (PD), which cause the band-like contrasts in HRTEM patterns as well as the superperiodicity in the SAED patterns. The vacancy concentrations as well as the chemical composition of Hy-2a, Hy-3a and Hy-3c olivine supercells were calculated using crystal chemical approaches, assuming either {(OH)^< _O−V^" _Me−(OH)^< _O}^↔, or {F e ^< _Fe −H _Me ^′}^↔ or {2F e ^< _Fe −V _Me ^"}^↔ point defect associates. The calculated theoretical compositions Mg_1.615Fe⁺² _0.135v_0.25SiO₄H_0.5 (Hy-2a) and Mg_1.54Fe²⁺ _0.12v_0.33SiO₄H_0.66 (Hy-3a and Hy-3c) are in a good agreement with the AEM data on inclusions. Hy-2a, Hy-3a and Hy-3c are considered to be a hydrous olivine with the extended chemical formula (Mg_1-yFe²⁺ _y)_2−xv_xSiO₄H_2x. The crystal structure of hydrous olivine is proposed to be a modular olivine structure with Mg-vacant modules. The crystal chemical formula of hydrous olivines in terms of a modular structure can be written as [MgSiO₄H₂] · 3[Mg_1.82Fe_0.18SiO₄] for Hy-2a, [MgSiO₄H₂] · 2[Mg_1.82Fe_0.18SiO₄] for Hy-3a and Hy-3c. Hydrous olivine is suggested to be exsolved from the olivine 9206, which has been initially saturated by OH-bearing point defects. The olivine 9206 hydration as well as the following exsolution of hydrous olivine inclusions is suggested to occur at high pressure-high temperature conditions of the upper mantle. Received: 15 January 2001 / Accepted: 2 July 2001     

Carbonaceous chondrites as analogs for the composition and alteration of Ceres

The mineralogy and geochemistry of Ceres, as constrained by Dawn's instruments, are broadly consistent with a carbonaceous chondrite (CM/CI) bulk composition. Differences explainable by Ceres’s more advanced alteration include the formation of Mg‐rich serpentine and ammoniated clay; a greater proportion of carbonate and lesser organic matter; amounts of magnetite, sulfide, and carbon that could act as spectral darkening agents; and partial fractionation of water ice and silicates in the interior and regolith. Ceres is not spectrally unique, but is similar to a few other C‐class asteroids, which may also have suffered extensive alteration. All these bodies are among the largest carbonaceous chondrite asteroids, and they orbit in the same part of the Main Belt. Thus, the degree of alteration is apparently related to the size of the body. Although the ammonia now incorporated into clay likely condensed in the outer nebula, we cannot presently determine whether Ceres itself formed in the outer solar system and migrated inward or was assembled within the Main Belt, along with other carbonaceous chondrite bodies.     

Zircon M127 – A Homogeneous Reference Material for SIMS U–Pb Geochronology Combined with Hafnium,Oxygen and,Potentially, Lithium Isotope Analysis

In this article, we document a detailed analytical characterisation of zircon M127, a homogeneous 12.7 carat gemstone from Ratnapura, Sri Lanka. Zircon M127 has TIMS‐determined mean U–Pb radiogenic isotopic ratios of 0.084743 ± 0.000027 for ²⁰⁶Pb/²³⁸U and 0.67676 ± 0.00023 for ²⁰⁷Pb/²³⁵U (weighted means, 2s uncertainties). Its ²⁰⁶Pb/²³⁸U age of 524.36 ± 0.16 Ma (95% confidence uncertainty) is concordant within the uncertainties of decay constants. The δ¹⁸O value (determined by laser fluorination) is 8.26 ± 0.06‰ VSMOW (2s), and the mean ¹⁷⁶Hf/¹⁷⁷Hf ratio (determined by solution ICP‐MS) is 0.282396 ± 0.000004 (2s). The SIMS‐determined δ⁷Li value is ?0.6 ± 0.9‰ (2s), with a mean mass fraction of 1.0 ± 0.1 μg g^?1 Li (2s). Zircon M127 contains ~ 923 μg g^?1 U. The moderate degree of radiation damage corresponds well with the time‐integrated self‐irradiation dose of 1.82 × 10¹⁸ alpha events per gram. This observation, and the (U–Th)/He age of 426 ± 7 Ma (2s), which is typical of unheated Sri Lankan zircon, enable us to exclude any thermal treatment. Zircon M127 is proposed as a reference material for the determination of zircon U–Pb ages by means of SIMS in combination with hafnium and stable isotope (oxygen and potentially also lithium) determination.     

Determining the age of water and long-term transport timescale of the Chesapeake Bay

The concept of age of water (AW) is applied to the Chesapeake Bay to investigate the long-term transport properties for dissolved substances. A real-time calibrated hydrodynamic Chesapeake Bay model in 3 Dimensions (CH3D), employing a boundary-fitted curvilinear grid, is used for the study. The long-term transport properties, represented by AW, are investigated under the conditions of low river inflow of 1995 and high river inflow of 1996, as well as for constant mean inflows. The influences of freshwater, density-induced circulation, and wind-induced transport on age distribution have been investigated. Model results show that river inflows, wind stress, and density-induced circulation play important roles in controlling the long-term transport in the Bay. The model results shows that it requires 120–300 days for a marked change in the characteristics of the pollutant source discharged into the Bay from the Susquehanna River to affect significantly the conditions near the mouth under different hydrodynamic conditions. An increase of river discharge results in increases of downstream residual current and gravitational circulation, and thus reduces AW. The density-induced circulation contributes to the transport substantially. The dissolved substances discharged into the Bay are transported out of the Bay more rapidly when the estuary becomes more stratified. Southeasterly and southwesterly winds have strong impacts on the transport compared to the northeasterly and northwesterly winds. The former increases lateral and vertical mixing significantly. Consequently, the gravitational circulation is reduced and the transport time is increased by 50%. The model results provide useful information for understanding the long-term transport processes in the Bay.     

Mass Fractions of S,Cu, Se,Mo, Ag,Cd, In,Te, Ba,Sm, W,Tl and Bi in Geological Reference Materials and Selected Carbonaceous Chondrites Determined by Isotope Dilution ICP‐MS

Mass fractions of S, Cu, Se, Mo, Ag, Cd, In, Te, Ba, Sm, W and Tl were determined by isotope dilution sector field ICP‐MS in the same sample aliquot of reference materials using HF‐HNO₃ digestion in PFA beakers in pressure bombs and glassy carbon vessels in a high‐pressure asher (HPA‐S) for comparison. Additionally, Bi was determined by internal standardisation relative to Tl. Because isobaric and oxide interferences pose problems for many of these elements, efficient chromatographic separation methods in combination with an Aridus desolvator were employed to minimise interference effects. Repeated digestion and measurement of geological reference materials (BHVO‐1, BHVO‐2, SCo‐1, MAG‐1, MRG‐1 and UB‐N) gave results with < 5% relative intermediate precision (1s) for most elements, except Bi. Replicates of NIST SRM 612 glass digested on a hot plate were analysed by the same methods, and the results agree with reference values mostly within 2% relative deviation. Data for the carbonaceous chondrites Allende, Murchison, Orgueil and Ivuna are also reported. Digestion in a HPA‐S was as efficient as in pressure bombs, but some elements displayed higher blank levels following HPA‐S treatment. Pressure bomb digestion yielded precise data for volatile S, Se and Te, but may result in high blanks for W.