Molecular dynamics simulations of the orthoclase (0 0 1)- and (0 1 0)-water interfaces     

Sebastien Kerisit  Chongxuan Liu  Eugene S. Ilton 《Geochimica et cosmochimica acta》2008,72(6):1481-1497

Molecular dynamics simulations of water in contact with the (0 0 1) and (0 1 0) surfaces of orthoclase (KAlSi₃O₈) were carried out to investigate the structure and dynamics of the feldspar-water interface, contrast the intrinsic structural properties of the two surfaces, and provide a basis for future work on the diffusion of ions and molecules in microscopic mineral fractures. Electron density profiles were computed from the molecular dynamics trajectories and compared with those derived experimentally from high-resolution X-ray reflectivity measurements by Fenter and co-workers [Fenter P., Cheng L., Park C., Zhang H. and Sturchio N. C. (2003a) Structure of the orthoclase (0 0 1)- and (0 1 0)-water interfaces by high-resolution X-ray reflectivity. Geochim. Cosmochim. Acta67, 4267-4275]. For each surface, three scenarios were considered whereby the interfacial species is potassium, water, or a hydronium ion. Excellent agreement was obtained for the (0 0 1) surface when potassium is the predominant interfacial species; however, some discrepancies in the position of the interfacial peaks were obtained for the (0 1 0) surface. The two surfaces showed similarities in the extent of water ordering at the interface, the activation energies for water and potassium desorption, and the adsorption localization of interfacial species. However, there are also important differences between the two surfaces in the coordination of a given adsorbed species, adsorption site densities, and the propensity for water molecules in surface cavities and those in the first hydration layer to coordinate to surface bridging oxygen atoms. These differences may have implications for the extent of dissolution in the low-pH regime since hydrolysis of Si(Al)OSi(Al) bonds is a major dissolution mechanism.  相似文献   

Age and pyrite Pb-isotopic composition of the giant Sukhoi Log sediment-hosted gold deposit, Russia   总被引：2，自引：0，他引：2  

Sebastien Meffre  Ross R. Large  Jon Woodhead  Sarah E. Gilbert  Valeriy Maslennikov 《Geochimica et cosmochimica acta》2008,72(9):2377-2391

Sukhoi Log is one of the largest gold deposits in Russia (1100 t Au at 2.45 g/t). Like many other sediment-hosted gold deposits throughout the world, Sukhoi Log preserves textural, structural and geochemical evidence for multiple generations of Au enrichment and pyrite growth.The deposit is located in the Lena gold province of Siberia, on the edge of the Siberian Craton and occurs in the core of a recumbent anticline in a Neoproterozoic black shale and quartz-rich siltstone-sandstone turbidite succession. Temporal constraints on pyrite paragenesis at the deposit have been determined using laser ablation inductively coupled mass spectrometry (LA-ICPMS) measurements of U, Th and Pb isotopes in pyrite, monazite and zircon. LA-ICPMS age determinations on detrital zircons indicate the host rocks were deposited after 600 ± 10 Ma and derived from a mixture of Palaeoproterozoic and Neoproterozoic sources. The U, Th and Pb isotopic systematics indicate the cores of large monazite crystals, which predate obvious tectonic fabric development in the host rocks, began growing at 573 ± 12 Ma. The rims of the same monazite crystals formed at 516 ± 10 Ma, during peak metamorphism and deformation. Small monazite crystals also grew in the sedimentary rocks during the Devonian (374 ± 20 Ma) and the Carboniferous or Early Permian (288 ± 22 Ma), possibly in response to fluid movements triggered by synchronous granite intrusion in the area. Multi-collector and quadrupole LA-ICPMS Pb isotopic determination on pyrite, combined with overprinting criteria, show that the earliest (stratiform) Pb and Au-bearing pyrite formed prior to metamorphism—possibly during sedimentation or early diagenesis (575-600 Ma). Small Au-rich pyrite nodules preserved as cores to folded bedding-parallel pyrite-quartz veins probably grew during late diagenesis or early metamorphism. Large pyrite euhedra, which overgrow the strong axial planar cleavage in the host rocks, have more radiogenic Pb-isotopic compositions and formed either late during or after deformation. Framboidal pyrite that is overgrown by both the late diagenetic-early metamorphic and syn- to post-metamorphic pyrite has the most radiogenic Pb-isotopic composition suggesting exchange with radiogenic Pb in the matrix may have continued until late in the history of the deposit.The dating and Pb isotopes support a multistage origin for the gold deposit with Au first introduced during or prior to growth of the earliest stratiform pyrite and progressively re-concentrated (with or without addition of further gold) during later metamorphic events.  相似文献   

Age and origin of gem corundum and zircon megacrysts from the Mercaderes–Rio Mayo area, South-west Colombia, South America     

F.L. Sutherland  J.M. Duroc-Danner  S. Meffre 《Ore Geology Reviews》2008,34(1-2):155

Potential sources for alluvial gem corundum and zircon from the Rio Mayo area, near Mercaderes, Colombia are reviewed, based on U–Pb dating of syngenetic and protogenetic mineral inclusions in corundum samples and on a zircon megacryst. Corundum recovered from the region (approx. 99% sapphire, 1% ruby) commonly shows growth banding, includes colour change stones and exhibits overlaps in colour ranges and inclusion characteristics. This suggests a contiguous genetic suite. The U–Pb dating used laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) techniques. Because of the young ages and low-U contents of the dated zircons, the acquired data required a special statistical treatment. The results from zircon, fluorapatite and allanite-(Ce) inclusions provide a corundum crystallization age of 8 to 11 Ma, in relation to northern Andean Miocene uplift and magmatism. The zircon megacryst gave a younger crystallization age of c. 0.6 Ma, unrelated to the corundum genesis. Geochemical parameters (trace element and O isotope ranges) for corundum samples suggest a metamorphic/metasomatic origin. The age data rules out corundum genesis during the Late Cretaceous ophiolitic generation, but leave open possible later metasomatic interactions with this substrate. The Cr/Ga and Ga/Mg ratios and O isotope range for the corundum fall within the known limits for metasomatic, desilicated felsic/ultramafic ‘plumasitic’ associations, suggesting a possible parental source. Allanite, extremely rare as an inclusion in corundum elsewhere, may prove a characteristic inclusion for Rio Mayo corundum.  相似文献   

Detecting co-seismic displacements in glaciated regions: An example from the great November 2002 Denali earthquake using SPOT horizontal offsets   总被引：1，自引：0，他引：1  

Michael H. Taylor  Sebastien Leprince  Jean-Philippe Avouac  Kerry Sieh 《Earth and Planetary Science Letters》2008,270(3-4):209-220

We use SPOT image pairs to determine horizontal offsets associated with the Mw 7.9 November 2002 Denali earthquake in the vicinity of Slate Creek, AK. Field measurements and aerial photographs are used to further characterize the geometry of the surface rupture. Aerial photographs show that shear localization occurs where the rupture trace is linear, and distributed off-fault deformation is common at fault bends and step-overs, or at geologic contacts between rock, glacial sediments, and ice. The displacement field is generated using a sub-pixel cross correlation technique between SPOT images taken before and after the earthquake. We identify the effects of glacier motion in order to isolate the tectonic displacements associated with the Denali earthquake. The resulting horizontal displacement field shows an along-strike variation in dextral shear, with a maximum of approximately 7.5 m in the east near 144° 52′W, which decreases to about 5 m to the west near 145° 45′W. If the November 2002 earthquake represents the long-term behavior of the Denali fault, it implies a westward decrease in the long-term dextral slip rate. A possible mechanism to accommodate the westward decreasing slip on the Denali fault is to transfer fault slip to adjacent east-trending contractional structures in the western region of the central Alaskan Range.  相似文献   

Impact of vegetation on erosion: Insights from the calibration and test of a landscape evolution model in alpine badland catchments     

Alexandra Carriere  Caroline Le Bouteiller  Gregory E. Tucker  Sebastien Klotz  Mohamed Naaim 《地球表面变化过程与地形》2020,45(5):1085-1099

While it is well recognized that vegetation can affect erosion, sediment yield and, over longer timescales, landform evolution, the nature of this interaction and how it should be modeled is not obvious and may depend on the study site. In order to develop quantitative insight into the magnitude and nature of the influence of vegetation on catchment erosion, we build a landscape evolution model to simulate erosion in badlands, then calibrate and evaluate it against sediment yield data for two catchments with contrasting vegetation cover. The model couples hillslope gravitational transport and stream alluvium transport. Results indicate that hillslope transport processes depend strongly on the vegetation cover, whereas stream transport processes do not seem to be affected by the presence of vegetation. The model performance in prediction is found to be higher for the denuded catchment than for the reforested one. Moreover, we find that vegetation acts on erosion mostly by reducing soil erodibility rather than by reducing surface runoff. Finally, the methodology we propose can be a useful tool to evaluate the efficiency of previous revegetation operations and to provide guidance for future restoration work. © 2019 John Wiley & Sons, Ltd.  相似文献   

Ultraprecise age and formation temperature of the Australasian tektites constrained by 40Ar/39Ar analyses     

Fred Jourdan  Sebastien Nomade  Michael T. D. Wingate  Ela Eroglu  Al Deino 《Meteoritics & planetary science》2019,54(10):2573-2591

The Australasian tektites are quench melt glass ejecta particles distributed over the Asian, Australian, and Antarctic regions, the source crater of which is currently elusive. New ⁴⁰Ar/³⁹Ar age data from four tektites: one each from Thailand, China, Vietnam, and Australia measured using three different instruments from two different laboratories and combined with published ⁴⁰Ar/³⁹Ar data yield a weighted mean age of 788.1 ± 2.8 ka (±3.0 ka, including all sources of uncertainties) (P = 0.54). This age is five times more precise compared to previous results thanks, in part, to the multicollection capabilities of the ARGUS VI noble gas mass spectrometer, which allows an improvement of almost fourfold on a single plateau age measurement. Diffusion experiments on tektites combined with synthetic age spectra and Monte Carlo diffusion models suggest that the minimum temperature of formation of the Thai tektite is between 2350 °C and 3950 °C, hence a strict minimum value of 2350 °C.  相似文献   

Considering multiple-species attributes to understand better the effects of successive changes in protection status on a coral reef fish assemblage     

Preuss  Bastien; Pelletier  Dominique; Wantiez  Laurent; Letourneur  Yves; Sarramegna  Sebastien; Kulbicki  Michel; Galzin  Rene; Ferraris  Jocelyne 《ICES Journal of Marine Science》2009,66(1):170-179

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Molecular simulation of the diffusion of uranyl carbonate species in aqueous solution     

Sebastien Kerisit  Chongxuan Liu 《Geochimica et cosmochimica acta》2010,74(17):4937-16115

Potential-based molecular dynamics simulations of aqueous uranyl carbonate species (M_xUO₂(CO₃)_y^2+2x−2y with M = Mg, Ca, or Sr) were carried out to gain molecular-level insight into the hydration properties of these species. The simulation results were used to estimate the self-diffusion coefficients of these uranyl carbonate species, which often dominate uranyl speciation in groundwater systems. The diffusion coefficients obtained for the monoatomic alkaline-earth cations and polyatomic ions (uranyl, carbonate, and uranyl tri-carbonate) were compared with those calculated from the Stokes-Einstein (SE) equation and its variant formulation by Impey et al. (1983). Our results show that the equation of Impey et al. (1983), originally formulated for monovalent monoatomic ions, can be extended to divalent monoatomic ions, with some success in reproducing the absolute values and the overall trend determined from the molecular dynamics simulations, but not to polyatomic ions, for which the hydration shell is not spherically symmetrical. Despite the quantitative failure of both SE formulations, a plot of the diffusion coefficients of the uranyl carbonate complexes as a function of the inverse of the equivalent spherical radius showed that a general linear dependence is observed for these complexes as expected from the SE equation. The nature of the alkaline-earth cation in the uranyl carbonate complexes was not found to have a significant effect on the ion’s diffusion coefficient, which suggests that the use of a single diffusion coefficient for different alkaline-earth uranyl carbonate complexes in microscopic diffusion models is appropriate.The potential model reproduced well published quantum mechanical and experimental data of and of the individual constituent ions, and therefore is expected to offer reliable predictions of the structure of magnesium and strontium uranyl carbonate aqueous species, for which there is no structural data available to date. In addition, the interatomic distances reported for could help with the refinement of the interpretation of EXAFS data of these species, which is made difficult by the similar uranium-distant carbonate oxygen and uranium-calcium distances.An analysis of the dynamics of water exchange around the alkaline-earth cations revealed that the presence of the uranyl tri-carbonate molecule has a strong influence on the geometry of the cation’s first hydration shell, which, in turn, can considerably affect the water exchange kinetics depending on whether the imposed geometry matches that around the isolated alkaline-earth cation. This result shows that the alkaline-earth uranyl carbonate complexes have distinct water exchange dynamics, which may lead to different reactivities. Finally, significant changes in water residence time were also predicted when replacing carbonate for water ligands in the uranyl coordination shell.  相似文献   

Late Holocene high precipitation events recorded in lake sediments and catchment geomorphology,Lake Vuoksjávrátje,NW Sweden          下载免费PDF全文

Annika Berntsson  Krister N. Jansson  Malin E. Kylander  Francois De Vleeschouwer  Sebastien Bertrand 《Boreas: An International Journal of Quaternary Research》2015,44(4):676-692

In this paper, we show the potential of combining multi‐proxy analysis of lake sediments with catchment geomorphology to better understand palaeoenvironmental changes. Previous studies have suggested that alpine lakes in N Sweden may be highly sensitive to variations in catchment erosion and precipitation, and that this sensitivity may influence ecologically based reconstructions of past temperature changes. We analysed lake sediments covering the last 5100 years from the alpine Lake Vuoksjávrátje in NW Sweden in order to identify different erosional regimes in the lake catchment, sediment sources and lake sedimentary processes, which ultimately affect the palaeoecological record. The measured proxies include elemental geochemistry from XRF core scanning, grain size, sediment accumulation rates, fraction of terrestrial organic carbon and geomorphological mapping, supported by previously published chironomid and total organic carbon data. From the integrated results we identified time intervals when increased intensity of precipitation altered sedimentation and lake catchment erosional processes. The most prominent event occurred c. 2900 cal. a BP and is interpreted to be the result of excessive precipitation, possibly related to the climatic shift towards cooler and wetter conditions referred to as the 2.8 ka event.  相似文献   

Pan-African metamorphic evolution in the southern Yaounde Group (Oubanguide Complex,Cameroon) as revealed by EMP-monazite dating and thermobarometry of garnet metapelites     

Sebastien Owona  Bernhard Schulz  Lothar Ratschbacher  Joseph Mvondo Ondoa  Georges E. Ekodeck  Félix M. Tchoua  Pascal Affaton 《Journal of African Earth Sciences》2011,59(1):125-139

Garnet-bearing micaschists and paragneisses of the Yaounde Group in the Pan-African Central African Orogenic Belt in Cameroon underwent a polyphase structural evolution with the deformation stages D₁–D₂, D₃ and D₄. The garnet-bearing assemblages crystallized in course of the deformation stage D₁–D₂ which led to the formation of the regional main foliation S₂. In X_Ca–X_Mg coordinates one can distinguish several zonation trends in the garnet porphyroblasts. Zonation trends with increasing X_Mg and variably decreasing X_Ca signalize a garnet growth during prograde metamorphism. Intermineral microstructures provided criteria for local equilibria and a structurally controlled application of geothermobarometers based on cation exchange and net transfer reactions. The syndeformational P–T path sections calculated from cores and rims of garnets in individual samples partly overlap and align along clockwise P–T trends. The P–T evolution started at ～450 °C/7 kbar, passed high-pressure conditions at 11–12 kbar at variable temperatures (600–700 °C) and involved a marked decompression toward 6–7 kbar at high temperatures (700–750 °C). Th–U–Pb dating of metamorphic monazite by electron microprobe (EMP-CHIME method) in eight samples revealed a single period of crystallization between 613 ± 33 Ma and 586 ± 15 Ma. The EMP-monazite age populations between 613 ± 33 Ma enclosed in garnet and 605 ± 12 Ma in the matrix apparently bracket the high temperature–intermediate pressure stage at the end of the prograde P–T path. The younger monazites crystallized still at amphibolite-facies conditions during subsequent retrogression. The Pan-African overall clockwise P–T evolution in the Yaounde Group with its syndeformational high pressure stages and marked pressure variations is typical of the parts of orogens which underwent contractional crustal thickening by stacking of nappe units during continental collision and/or during subduction-related accretionary processes.  相似文献