Infrared spectroscopic properties of goethite: anharmonic broadening,long-range electrostatic effects and Al substitution     

Marc Blanchard  Etienne Balan  Paola Giura  Keevin Béneut  Haohao Yi  Guillaume Morin  Carlos Pinilla  Michele Lazzeri  Andrea Floris 《Physics and Chemistry of Minerals》2014,41(4):289-302

The infrared spectrum and its temperature dependence (20–320 K) were collected on a synthetic goethite sample (α-FeOOH). In addition, the infrared powder absorption spectrum of goethite and aluminum-substituted goethite was computed using ab initio quantum mechanical calculations based on density functional theory. This combined experimental and theoretical approach allows (1) the unequivocal assignment of absorption bands to the corresponding vibrational modes, (2) separate identification of the effects of the particle shape and of the aluminum substitution on the infrared spectrum, and (3) a discussion of the anharmonic properties and the origin of the line broadening in goethite. In particular, the two well-resolved OH bending absorption bands show different temperature evolution. Their detailed analysis suggests that the broadening of the band at ~800 cm^?1 cannot be described solely by a usual three-phonon process. The strong anharmonic behavior of this mode implies the addition of a four-phonon process, such as a pure dephasing process. In our calculations, the effect of the Hubbard U correction is also investigated and found to be most visible on the OH stretching and bending modes, in relation to the associated structural relaxation. The OH stretching frequencies decrease, leading to a better agreement with experimental frequencies, while the OH bending frequencies increase.  相似文献   

New constraints on modified Newtonian dynamics from galaxy clusters     

Etienne Pointecouteau  Joseph Silk 《Monthly notices of the Royal Astronomical Society》2005,364(2):654-658

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Potential Orthopyroxene,Clinopyroxene and Olivine Reference Materials for In Situ Lithium Isotope Determination   总被引：1，自引：0，他引：1       下载免费PDF全文

Ben‐Xun Su  Xiao‐Yan Gu  Etienne Deloule  Hong‐Fu Zhang  Qiu‐Li Li  Xian‐Hua Li  Nathalie Vigier  Yan‐Jie Tang  Guo‐Qiang Tang  Yu Liu  Kwan‐Nang Pang  Aaron Brewer  Qian Mao  Yu‐Guang Ma 《Geostandards and Geoanalytical Research》2015,39(3):357-369

Over 1400 electron probe and 700 ion probe microanalyses were performed on eleven mineral separates to evaluate their potential as reference materials for in situ Li isotopic determination. Our results suggest the homogenous distributions of major elements, Li and its isotopes for each sample. Hence, these samples are suitable to be used as reference materials for in situ measurements of Li abundance and Li isotopes by secondary ion mass spectrometry (SIMS) or laser ablation‐inductively coupled plasma‐mass spectrometry (LA‐ICP‐MS). These samples have the advantage of mitigating probable matrix effects during calibration owing to the wide range of compositions. The effect of composition on the δ⁷Li of olivine measured by SIMS is a linear function of composition, with δ⁷Li increasing by 1.0‰ for each mole per cent decrease in forsterite component.  相似文献   

A flash flood hazard assessment in dry valleys (northern France) by cellular automata modelling     

Johnny Douvinet  Marco J. Van De Wiel  Daniel Delahaye  Etienne Cossart 《Natural Hazards》2015,75(3):2905-2929

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First-principles study of OH defects in zircon     

Etienne Balan  Haohao Yi  Marc Blanchard 《Physics and Chemistry of Minerals》2013,40(7):547-554

The infrared spectroscopic properties of selected OH defects in zircon are investigated by first-principles calculations. The explicit treatment of the coupled nature of OH motions in the stretching modes, together with the calculation of the intensity and polarization of absorption bands, makes it possible to directly compare theoretical and experimental data. The bands observed at 3,420 cm^?1 (polarization parallel to c axis) and 3,385 cm^?1 (polarization perpendicular to c axis) in natural and synthetic samples correspond to the IR-active vibrational modes of the hydrozircon defect, that is, fully protonated Si vacancy. The broad band observed at 3,515 cm^?1 in the spectrum of zircon crystals grown in F-rich environments is consistent with the occurrence of composite (OH,F) tetrahedral defects. Calculations also show that the band observed at 3,200 cm^?1 in the spectrum of synthetic undoped samples can be ascribed to fully protonated Zr vacancies. The theoretical values of integrated absorption coefficients indicate that general correlations can be reasonably used to determine the concentration of OH groups in zircon.  相似文献   

Analyse conjointe des régimes pluviométriques et hydrologiques dans le bassin de la Tafna (Algérie Occidentale)     

Amel Bakreti  Isabelle Braud  Etienne Leblois  Abdelmadjid Benali 《水文科学杂志》2013,58(1):133-151

Résumé

La variabilité du climat, une gestion non optimale de la ressource en eau et l'intensification des activités anthropiques pourraient être les trois facteurs majeurs menaçant les écoulements et l'état de la ressource en eau dans les sous-bassins algériens. C'est le cas du bassin de la Tafna dans la partie occidentale de l'Algérie. Ce bassin est situé dans une région au climat semi-aride. Outre l'influence des précipitations, nous examinerons dans cet article la contribution possible d'autres facteurs (géologiques, topographiques et anthropiques) à la variabilité des écoulements dans le bassin de la Tafna. Pour cela, en plus de l'analyse du régime pluviométrique et des débits, nous avons choisi d'analyser le baseflow index ou BFI et les débits de base. Cinq sous-bassins de la Tafna, où des données journalières de pluie et de débit étaient disponibles sur la période 1976–2006 ont été étudiés. L'analyse, qui a distingué deux sous-régions déterminées par la topographie: les bassins d'altitude et ceux de plaine, montre que, selon leur contexte géologique, les sous-bassins ont des comportements différents en terme d'écoulement. Les zones en altitude présentant un écoulement de base et un BFI plus importants que les bassins de plaine. Ceci peut être relié à la nature lithologique des formations, les bassins d'altitude présentant une composante karstique importante. Les analyses de tendance/rupture sur les précipitations annuelles ne montrent aucune tendance significative sur la période 1976–2006. On note une baisse des débits moyens annuels uniquement sur deux stations en altitude (significatives aux seuils 1 et 10% respectivement). Une tendance à une diminution significative des débits de base est obtenue sur deux bassins d'altitude et un bassin de plaine (au seuil 1 ou 5%). La baisse du BFI est significative au seuil 1% pour seulement une station d'altitude. Ceci serait le signe d'une baisse du stock dans les bassins d'altitude. La modification des écoulements de base sur certains sous-bassins de la Tafna serait donc imputable à des causes, notamment de nature anthropique, ne relevant pas d'une diminution de la pluviométrie.

Editeur Z.W. Kundzewicz; Editeur associé M. Lang

Citation Bakreti, A., Braud, I., Leblois, E., et Benali, A. 2013. Analyse conjointe des régimes pluviométriques et hydrologiques dans le bassin de la Tafna (Algérie Occidentale). Hydrological Sciences Journal, 58 (1), 1–19.  相似文献   

The SAGE handbook of economic geography edited by A. Leyshon,R. Lee,L. McDowell and P. Sunley (eds), Sage,London, 2012. 411 pp. ISBN 978‐1‐84860‐114‐7.     

Etienne Nel 《New Zealand geographer》2014,70(2):150-151

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Liquidus surfaces of ultracalcic primitive melts: formation conditions and sources   总被引：4，自引：1，他引：3  

Etienne?MédardEmail author  Max?W.?Schmidt  Pierre?Schiano 《Contributions to Mineralogy and Petrology》2004,148(2):201-215

CaO-rich, Al₂O₃-poor ultracalcic primitive melts occur at mid-ocean-ridges, back-arc basins, ocean islands and volcanic arcs. They are subdivided into a nepheline-normative alkaline-rich, silica-poor group uniquely found in arcs and in hypersthene-normative fairly refractory melts which occur in all of the above environments. The high CaO contents (to 19.0 wt%) and CaO/Al₂O₃ ratios (to 1.8) exclude an origin from fertile lherzolites at volatile-absent conditions. Experimental investigation of the liquidus of a hypersthene-normative and a nepheline-normative ultracalcic melt results in quite distinct pressure-temperature conditions of multiple saturation: whereas the hypersthene-normative liquid saturates in olivine + clinopyroxene at 1.2 GPa and 1,410°C, this occurs at 0.2 GPa and 1,220°C for the nepheline-normative ultracalcic liquid. Our results in combination with melting experiments from the literature suggest that hypersthene-normative melts result from melting of a refractory olivine + clinopyroxene ± orthopyroxene source at elevated mantle temperatures. Contrasting, nepheline-normative ultracalcic melts form from wehrlitic cumulates in the arc crust; to account for the high alkaline and low silica contents, and the relatively low temperatures, source wehrlites must have contained amphibole.  相似文献   

Petrology,U/Pb dating and (C-O) stable isotope constraints on the source and evolution of the adakite-related Mezcala Fe-Au skarn district,Guerrero, Mexico     

Gilles?LevresseEmail author  Eduardo?González-Partida  Alejandro?Carrillo-Chavez  Jordi?Tritlla  Antoni?Camprubí  Alain?Cheilletz  Dominique?Gasquet  Etienne?Deloule 《Mineralium Deposita》2004,39(3):301-312

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Behaviour of Li and its isotopes during metasomatism of French Massif Central lherzolites     

Christiane Wagner  Etienne Deloule 《Geochimica et cosmochimica acta》2007,71(17):4279-4296

Li behaviour and distribution in the mantle were investigated by ion microprobe in situ measurements on co-existing olivine (ol), orthopyroxene (opx), clinopyroxene (cpx) and amphibole (amp) in xenoliths from the French Massif Central. The fertile spinel lherzolites of this study record increasing degrees of mantle metasomatism, from unmetasomatised anhydrous samples through cryptically metasomatised samples to highly metasomatised amphibole-rich samples. In anhydrous lherzolites, Li is preferentially incorporated into olivine (1.1-1.4 ppm, average values) compared to pyroxenes (0.2-0.9 ppm). The hydrous samples clearly show enrichment of Li in ol (1.5-5.0 ppm), opx (1.1-2.4 ppm) and cpx (2.4-5.4 ppm), while amphibole incorporates less Li than the co-existing phases (0.8-1.3 ppm). Average δ⁷Li values range from +7.6 to +14.5‰ in ol, from 5.1 to +13.7‰ in opx and from 8.8 to +10.3‰ in cpx from the anhydrous lherzolites. A layered peridotite sample (Sdi) shows higher Li content in all phases, with lighter isotopic composition in opx and cpx (−0.6 and −2‰ average δ⁷Li values, respectively). In the hydrous lherzolites average δ⁷Li values both overlap and extend beyond these ranges in ol (up to 17.5 ‰) and in opx (up to 22.9‰), and vary widely in cpx (−2.7 to +9.7‰). Low δ⁷Li values are observed in some opx (−10.4‰) and cpx (−13‰) from sample Sdi, and in cpx from three hydrous samples (from −9.7 to −5.3‰). The different anhydrous phases from the hydrous samples show large intra-grain variations in Li isotopic ratios (e.g., up to 18‰) compared to the same phases from the anhydrous samples (mostly less than 6‰), excepting sample Sdi which has up to 20.4‰ variation in cpx. Similar to the anhydrous silicates, amphiboles show a wide variation of δ⁷Li values on the intra-grain scale (2-27‰). These variations are interpreted to result from fractionation processes during metasomatism by a silicate melt undergoing compositional changes as it percolates through and reacts with the peridotite phases. Thus Li abundances and isotopic in situ measurements are useful for tracing metasomatic processes but the heterogeneities observed in the samples preclude any identification of a specific mantle source by its Li signature.  相似文献