On facies belts and facies mosaics: Holocene isolated platforms,South China Sea

Although the general criteria for recognition and environmental interpretation of different carbonate facies are well‐established, a predictive understanding of the areal extent and spatial patterning of facies bodies and why they might organize into facies belts or facies mosaics is poorly constrained. To explore patterns and process dynamics of facies on isolated carbonate platforms, quantitative analysis of thematic maps derived from remote sensing images of 27 Holocene atolls of the Paracel and Spratly chains in the South China Sea explores variability within and among platforms. On these systems, most annular shelf‐margin reefs are less than 500 m wide on both chains; inboard of the reefs, reef sand aprons range up to 500 m (Spratlys) and 1000 m (Paracels) wide. Around individual platforms, Spratly Chain sand apron widths are wider to the north‐west, whereas apron widths in the Paracel Chain are more symmetrical; collectively, data indicate log‐normal width‐exceedance probability distributions. Platform‐interior patch reefs include area‐exceedance probability distributions and gap size distributions (lacunarity) consistent within chains, but distinct between the chains. To understand the processes underlying distinct distributions, simulations explored distinct growth scenarios. Results suggest that differences may represent distinct process classes: proportional growth processes with multiplicative random effects (reef sand aprons – belts), versus non‐linear, size‐proportional growth of randomly aged and distributed elements (patch reefs – mosaics). The probabilistically distinct sizes and spatial patterns of geomorphic elements within these general process classes are interpreted to represent ‘variations on themes’ related to the different impacts of tropical storms, winter cold fronts and circulation in each chain. The results highlight fundamentally different growth patterns impacting the sizes and distribution of facies belts and mosaics on isolated carbonate platforms. Because these types of bodies ultimately construct stratigraphy, the themes could be applied to understand and predict variability in the architecture of subsurface reservoir analogues.     

Olivine‐bearing symplectites in fractured garnet from eclogite,Moldanubian Zone (Bohemian Massif) – a short‐lived,granulite facies event

Recent petrological studies on high‐pressure (HP)–ultrahigh‐pressure (UHP) metamorphic rocks in the Moldanubian Zone, mainly utilizing compositional zoning and solid phase inclusions in garnet from a variety of lithologies, have established a prograde history involving subduction and subsequent granulite facies metamorphism during the Variscan Orogeny. Two temporally separate metamorphic events are developed rather than a single P–T loop for the HP–UHP metamorphism and amphibolite–granulite facies overprint in the Moldanubian Zone. Here further evidence is presented that the granulite facies metamorphism occurred after the HP–UHP rocks had been exhumed to different levels of the middle or upper crust. A medium‐temperature eclogite that is part of a series of tectonic blocks and lenses within migmatites contains a well‐preserved eclogite facies assemblage with omphacite and prograde zoned garnet. Omphacite is partly replaced by a symplectite of diopside + plagioclase + amphibole. Garnet and omphacite equilibria and pseudosection calculations indicate that the HP metamorphism occurred at relatively low temperature conditions of ~600 °C at 2.0–2.2 GPa. The striking feature of the rocks is the presence of garnet porphyroblasts with veins filled by a granulite facies assemblage of olivine, spinel and Ca‐rich plagioclase. These minerals occur as a symplectite forming symmetric zones, a central zone rich in olivine that is separated from the host garnet by two marginal zones consisting of plagioclase with small amounts of spinel. Mineral textures in the veins show that they were first filled mostly by calcic amphibole, which was later transformed into granulite facies assemblages. The olivine‐spinel equilibria and pseudosection calculations indicate temperatures of ~850–900 °C at pressure below 0.7 GPa. The preservation of eclogite facies assemblages implies that the granulite facies overprint was a short‐lived process. The new results point to a geodynamic model where HP–UHP rocks are exhumed to amphibolite facies conditions with subsequent granulite facies heating by mantle‐derived magma in the middle and upper crust.     

Very low grade metamorphism of the Taveyanne formation of western Switzerland

The andesitic early Oligocene Taveyanne metagreywacke of the Helvetic nappes of western Switzerland shows an increase of metamorphic grade from zeolite facies through lower greenschist facies. Electron microprobe analysis, fluid inclusion thermometry, stable isotope analysis, coal rank, illite and chlorite crystallinity and thermodynamic calculations were carried out to determine metamorphic conditions. Evaluation of all techniques used in this study suggest that only combinations of different parameters yield reliable information to constrain very low-grade metamorphic conditions. Electron microprobe analyses are presented for actinolite, chlorite, epidote, phengite, laumontite, prehnite, pumpellyite, and titanite. With increasing metamorphic grade, chlorite is enriched in tetrahedral Al, pumpellyite becomes poorer in Fe_tot and more homogeneous in chemical composition, and titanite tends to incorporate Ti at the expense of Al and Fe³⁺. Metamorphic P-T conditions were determined by a combination of fluid inclusion microthermobarometry, stable isotope thermometry on quartz-calcite veins, chlorite “geothermometry” and thermodynamic calculations. Peak temperatures range from 210–250 °C for zeolite facies to 270–300 °C for prehnite-pumpellyite facies to 300–360 °C for pumpellyite-actinolite facies. An evaluation of 289 chlorite analyses indicates that the tetrahedral Al content is negatively correlated with the saponite component. Temperatures derived from chlorite “geothermometry” match maximum temperature conditions mentioned above. Illite crystallinity data for shales and slates intercalated with the Taveyanne metagreywacke indicate that the diagenetic zone correlates with the zeolite facies, the upper anchizone with the prehnite-pumpellyite facies, and the lower epizone with the pumpellyite-actinolite facies. A comparison of coal rank and illite crystallinity data (n=12,r=0.91) yielded R _max values of 2.9 and 5.5% for the lower and upper boundary of the anchizone, respectively. Received: 2 August 1996 / Accepted: 16 July 1997     

Facies Modeling Using a Markov Mesh Model Specification

The spatial continuity of facies is one of the key factors controlling flow in reservoir models. Traditional pixel-based methods such as truncated Gaussian random fields and indicator simulation are based on only two-point statistics, which is insufficient to capture complex facies structures. Current methods for multi-point statistics either lack a consistent statistical model specification or are too computer intensive to be applicable. We propose a Markov mesh model based on generalized linear models for geological facies modeling. The approach defines a consistent statistical model that is facilitated by efficient estimation of model parameters and generation of realizations. Our presentation includes a formulation of the general framework, model specifications in two and three dimensions, and details on how the parameters can be estimated from a training image. We illustrate the method using multiple training images, including binary and trinary images and simulations in two and three dimensions. We also do a thorough comparison to the snesim approach. We find that the current model formulation is applicable for multiple training images and compares favorably to the snesim approach in our test examples. The method is highly memory efficient.     

Spatial geochemistry of a Carboniferous platform-margin-to-basin transect: Balancing environmental and diagenetic factors

Conventional (one-dimensional) chemostratigraphy of marine carbonates assesses the chemical archive of individual stratigraphic sections and their correlation in space and time. Whereas this approach has shown to be of value when linking isobathymetric domains, usually characterised by similar facies, more caution is needed when correlations are extended across different physiographic settings and hence different facies belts. Here, the spatial geochemical record of Pennsylvanian platform-margin-to-basin transects across a bathymetric range of about 800 m is documented and discussed in a process-oriented context. Particularly, the presence of layered palaeo-water masses and their potential control on slope facies distribution and geochemical properties requires attention. Whereas Carboniferous thermo- and/or chemo-clines most likely affected depth-related slope facies zonation, it was facies change and hence, variances in porosity–permeability properties, that controlled differential early burial diagenetic alteration. Specifically, the lower-slope related breccia facies is characterised by higher volumes of early burial carbonate cements. This implies that these sediments entered the shallow-burial domain with a considerable open pore space and gave way to an increased rock:fluid ratio. Whereas the δ¹³C record is invariant with bathymetry, the more diagenesis-sensitive δ¹⁸O proxy, records pronounced shifts observed across major facies boundaries. From this it is concluded that although the primary controlling factor of slope facies distribution with depth is probably palaeoceanographic in nature, it is differential rock:fluid ratios that control the first-order, spatial shifts in δ¹⁸O composition. These findings show that one-dimensional chemostratigraphy will severely underestimate the complexity of three-dimensional (bathymetric) data sets across platform margins. This is of relevance for the interpretation of the geochemical archive of fossil carbonate platforms in general.     

Geothermobarometry, P–T paths and metamorphic field gradients of high-pressure rocks from the Adula Nappe, Central Alps

Metabasic rocks from the Adula Nappe in the Central Alps record a regional high‐pressure metamorphic event during the Eocene, and display a regional variation in high‐pressure mineral assemblages from barroisite, or glaucophane, bearing garnet amphibolites in the north to kyanite eclogites in the central part of the nappe. High‐pressure rocks from all parts of the nappe show the same metamorphic evolution of assemblages consistent with prograde blueschist, high‐pressure amphibolite or eclogite facies conditions followed by peak‐pressure eclogite facies conditions and decompression to the greenschist or amphibolite facies. Average PT calculations (using thermocalc ) quantitatively establish nested, clockwise P–T paths for different parts of the Adula Nappe that are displaced to higher pressure and temperature from north to south. Metamorphic conditions at peak pressure increase from about 17 kbar, 640 °C in the north to 22 kbar, 750 °C in the centre and 25 kbar, 750 °C in the south. The northern and central Adula Nappe behaved as a coherent tectonic unit at peak pressures and during decompression, and thermobarometric results are interpreted in terms of a metamorphic field gradient of 9.6 ± 2.0 °C km^?1 and 0.20 ± 0.05 kbar km^?1. These results constrain the peak‐pressure position and orientation of the nappe to a depth of 55–75 km, dipping at an angle of approximately 45° towards the south. Results from the southern Adula Nappe are not consistent with the metamorphic field gradient determined for the northern and central parts, which suggests that the southern Adula Nappe may have been separated from central and northern parts at peak pressure.     

Sensitivity analysis of runoff hydrographs due to temporal rainfall patterns in Makkah Al-Mukkramah region,Saudi Arabia

Runoff peak and volume in flood studies are estimated relying on temporal rainfall distribution from various storm patterns. Usually, SCS distributions types (I, II, III, IA) are commonly used. Using these distributions in runoff calculations assume that the in situ temporal rainfall pattern typically behaves as the one described by the SCS-type distribution, which is due to cyclonic frontal storms and actually developed in temperate environment. To what extent such assumption is valid in the arid environment? How much the impacts of rainfall temporal patterns are reflected in runoff volumes and peaks? The aim objectives of the current study are to answer the above two questions and clarify the validity of aforementioned assumption and exemplify such effect. Real rainfall data collected from rain gauges of Makkah Al-Mukkramah region over a period of more than 20 years are utilized. Temporal rainfall patterns and their parameters are deduced. Many hydrological simulations are performed and comparisons, in terms of runoff volume and peak flows, are made to show the effects of the common rainfall storm patterns and the developed rainfall storm patterns in the region based on the current study. Results indicate that major bursts of the design rainfall storm pattern are located in the first time of the storm period in the two quartiles which is mainly due to convective rainfall type in thunderstorms unlike the commonly used by SCS types relying on frontal cyclonic storms. Makkah Al-Mukkramah temporal rainfall pattern does not behave as the “typical pattern” assumed by SCS distributions that are deduced from different environments. The impacts of the temporal pattern reflected as an overestimate in the runoff peak reached to 68 %. The developed hyetographs and tables presented in the current study are recommended to enhance economical and rational design practice in watersheds of Makkah Al-Mukkramah region.     

Quasi-harmonic computer simulations of the structural behaviour and EOS of pyrope at high pressure and high temperature

Numerical simulations, using empirical interatomic potentials within the framework of lattice dynamics and quasi-harmonic approximation, have been carried out to model the behaviour of the structure and of some thermoelastic properties of pyrope at high pressure and high temperature conditions (0–50 GPa, 300–1500 K). Comparison with observed data, available as a function either of P or of T, suggests that the pressure effects are satisfactorily modelled, whilst the effect of T on the simulations is underestimated. The cell edge, bond lengths and polyhedral volumes have been studied as a function of P along five isotherms, spaced by 300 K steps. These isotherms tend to converge at high pressure, which demonstrates that the pressure effects become dominant compared to those of thermal origin in affecting the structural properties far from ambient conditions. The cell parameter, bond distances, and other structural and thermoelastic quantities determined through simulations have been parametrised as a function of P and T by polynomial expansions. Bulk modulus and thermal expansion have been discussed in the light of the high-temperature-Birch-Murnaghan and of the Vinet P – V – T equations of state. The predictions of the bulk modulus versus P and T from the present calculations and from the Vinet-EOS agree up to 10 GPa, but they differ at higher pressure. Received: 23 October, 1998 / Revised, accepted: 23 April, 1999     

Storm-dominated sedimentation along a rocky transgressive shoreline in the Silurian (Llandovery) of Western Ireland

Sedimentation patterns are described from the Kilbride Formation west of the Maam Fault zone, north Galway, Ireland. Seven distinct facies are described using faunal and lithological parameters. Environments of deposition range from marginal marine to deep shelf conditions. Lateral facies distributions were largely controlled by a rocky topographic high which influenced sedimentation until being buried by outer shelf sediments in middle-upper Kilbride Formation times. Four distinct sequences are described: in the lower Kilbride Formation, sequences I and IV are dominated by proximal storm deposits; sequence II was deposited in the lee of the topographic high and is interpreted as barred estuarine deposits; and in sequence III, at the topographic high, no deposition took place. In the upper Kilbride Formation the barrier was buried and uniform outer shelf conditions prevailed throughout the area. Faunal assemblages were strongly controlled by local environmental conditions and do not conform directly with the expected pattern of depth-related brachiopod communities. The Lingula and Eocoelia communities are amalgamated and alloch-thonous, the Pentameroides and Costistricklandia communities are absent, and only the Clorinda community is well represented, though parautochthonous.     

Upscaling facies models to preserve connectivity of designated facies

An upscaling algorithm has been developed that generates an irregular coarse grid that preserves flow connectivity by applying a rule-based upscaling algorithm to a fine-scale facies distribution. The algorithm is demonstrated using stochastically generated paleo-fluvial facies distributions. First, an irregular grid honoring the channel facies is created, followed by computation of effective anisotropic parameters for all coarse-grid cells. For the apparent layer-cake geometry of overbank deposits seen in outcrop, two local upscaling methods are compared: (1) the layered system approximation and (2) the mode. To assess upscaling performance, flow simulations for the original and upscaled grids are compared. The horizontal layered approximation (arithmetic mean) performs poorly, over-predicting lateral connectivity where even infrequent disconnection becomes important. Performance of the mode as an upscaling algorithm depends on the probability that a coarse-grid cell will be dominated by a single facies, and it performs surprisingly well because the upscaled grid-generation algorithm honors the channels, informing the upscaling process. Lastly, the irregular coarse grid was compared to a uniform coarse grid, showing superior performance with the irregular grid. The reduction in grid size achieved by irregular-grid generation will be a function of the geometrical complexity of the geologic objects to be honored.     

Reaction textures and fluid behaviour in very high pressure calc-silicate rocks of the Münchberg gneiss complex, Bavaria, Germany

Calc-silicate rocks occur as elliptical bands and boudins intimately interlayered with eclogites and high-pressure gneisses in the Münchberg gneiss complex of NE Bavaria. Core assemblages of the boudins consist of grossular-rich garnet, diopside, quartz, zoisite, clinozoisite, calcite, rutile and titanite. The polygonal granoblastic texture commonly displays mineral relics and reaction textures such as post kinematic grossular-rich garnet coronas. Reactions between these mineral phases have been modelled in the CaO-Al₂O₃-SiO₂-CO₂-H₂O system with an internally consistent thermodynamic data base. High-pressure metamorphism in the calc-silicate rocks has been estimated at a minimum pressure of 31 kbar at a temperature of 630d? C with X_H2, O ≥ 0.03. Small volumes of a CO₂-N₂-rich fluid whose composition was buffered on a local scale were present at peak-metamorphic conditions. The P-T conditions for the onset of the amphibolite facies overprint are about 10 kbar at the same temperature. X_Co2 of the H₂O-rich fluid phase is regarded to have been <0.03 during amphibolite facies conditions. These P-T estimates are interpreted as representing different stages of recrystallization during isothermal decompression. The presence of multiple generations of mineral phases and the preservation of very high-pressure relics in single thin sections preclude pervasive post-peak metamorphic fluid flow as a cause of a re-equilibration within the calc-silicates. The preservation of eclogite facies, very high-pressure relics as well as amphibolite facies reactions textures in the presence of a fluid phase is in agreement with fast, tectonically driven unroofing of these rocks.     

Genesis of the New Quebec and Adirondack granulites: Evidence for their production by partial melting

Materials balance calculations on amphibolite facies and granulite facies rocks from the Adirondack region and from some areas of New Quebec demonstrate that the rocks of the two facies differ by near granite-minimum melt compositions. The implication of these results are; granulites of both regions result from partial melting of greywacke-type metasedimentary rocks during upper amphibolite facies metamorphism. The New Quebec region contains granuites produced by partial melting as well as granulites produced by simple mineral dehydration reactions (no melting of the rocks occurred). These observations combined with the knowledge that some New Quebec granulites have produced abnormally high quantities of melts provide evidence that large sources and sinks for H₂O exist in the lower crust and that there is significant H₂O transport between these regions.     

Combining stochastic facies and fractal models for representing natural heterogeneity

Sedimentary deposits are often characterized by various distinct facies, with facies structure relating to the depositional and post-depositional environments. Permeability (k) varies within each facies, and mean values in one facies may be several orders of magnitude larger or smaller than those in another facies. Empirical probability density functions (PDFs) of log(k) increments from multi-facies structures often exhibit properties well modeled by the Levy PDF, which appears unrealistic physically. It is probable that the statistical properties of log(k) variations within a facies are very different from those between facies. Thus, it may not make sense to perform a single statistical analysis on permeability values taken from a mix of distinct facies. As an alternative, we employed an indicator simulation approach to generate large-scale facies distributions, and a mono-fractal model, fractional Brownian motion (fBm), to generate the log(k) increments within facies. Analyses show that the simulated log(k) distributions for the entire multi-facies domain produce apparent non-Gaussian log(k) increment distributions similar to those observed in field measurements. An important implication is that Levy-like behavior is not real in a statistical sense and that rigorous statistical measures of the log(k) increments will have to be extracted from within each individual facies. Electronic Publication     

Application of Multiple Point Geostatistics to Non-stationary Images

Simulation of flow and solute transport through aquifers or oil reservoirs requires a precise representation of subsurface heterogeneity that can be achieved by stochastic simulation approaches. Traditional geostatistical methods based on variograms, such as truncated Gaussian simulation or sequential indicator simulation, may fail to generate the complex, curvilinear, continuous and interconnected facies distributions that are often encountered in real geological media, due to their reliance on two-point statistics. Multiple Point Geostatistics (MPG) overcomes this constraint by using more complex point configurations whose statistics are retrieved from training images. Obtaining representative statistics requires stationary training images, but geological understanding often suggests a priori facies variability patterns. This research aims at extending MPG to non-stationary facies distributions. The proposed method subdivides the training images into different areas. The statistics for each area are stored in separate frequency search trees. Several training images are used to ensure that the obtained statistics are representative. The facies probability distribution for each cell during simulation is calculated by weighting the probabilities from the frequency trees. The method is tested on two different object-based training image sets. Results show that non-stationary training images can be used to generate suitable non-stationary facies distributions.     

Phase equilibrium modelling of the amphibolite to granulite facies transition in metabasic rocks (Ivrea Zone,NW Italy)

The development of thermodynamic models for tonalitic melt and the updated clinopyroxene and amphibole models now allow the use of phase equilibrium modelling to estimate P–T conditions and melt production for anatectic mafic and intermediate rock types at high‐T conditions. The Permian mid‐lower crustal section of the Ivrea Zone preserves a metamorphic field gradient from mid amphibolite facies to granulite facies, and thus records the onset of partial melting in metabasic rocks. Interlayered metabasic and metapelitic rocks allows the direct comparison of P–T estimates and partial melting between both rock types with the same metamorphic evolution. Pseudosections for metabasic compositions calculated in the Na₂O–CaO–K₂O–FeO–MgO–Al₂O₃–SiO₂–H₂O–TiO₂–O (NCKFMASHTO) system are presented and compared with those of metapelitic rocks calculated with consistent end‐member data and a–x models. The results presented in this study show that P–T conditions obtained by phase equilibria modelling of both metabasic and metapelitic rocks give consistent results within uncertainties, allowing integration of results obtained for both rock types. In combination, the calculations for both metabasic and metapelitic rocks allows an updated and more precisely constrained metamorphic field gradient for Val Strona di Omegna to be defined. The new field gradient has a slightly lower dP/dT which is in better agreement with the onset of crustal thinning of the Adriatic margin during the Permian inferred in recent studies.     

Equilibrium modeling of U(VI) speciation in high carbonate groundwaters: Model error and propagation of uncertainty

Remediation of U-contaminated sites relies upon thermodynamic speciation calculations to predict U(VI) movement in the subsurface. However, reliability and applicability of geochemical speciation and reactive transport models may be limited by determinate (model) errors and random (uncertainty) errors in the equilibrium speciation calculations. This study examines propagated uncertainty in two types of subsurface calculations: I. Dissolved U(VI) speciation based on measured analytical constraints and solution phase equilibria and II. Overall U(VI) speciation which combined the dissolved phase equilibria with previously published adsorption reactions. Three levels of uncertainty, instrumental uncertainty, temporal variation and spatial variation across a site, were investigated using first-derivative sensitivity calculations and Monte Carlo simulations. Dissolved speciation calculations were robust, with minimal amplification of uncertainty and normal output distributions. The most critical analytical constraints in the dissolved system are pH, DIC, total U and total Ca, with some effect from dissolved . When considering adsorption equilibria, calculations were robust with respect to adsorbed U(VI) concentration prediction, but bimodal distributions of dissolved U(VI) concentrations were observed in simulations with background levels of total U(VI) and higher (spatial and temporal variability) estimates of input uncertainty. Consequently, sorption model predictions of dissolved U(VI) may not be robust with respect these higher levels of uncertainty.     

Garnet zoning and the identification of equilibrium mineral compositions in high-pressure–temperature granulites from the Moldanubian Zone, Austria

A detailed investigation of the compositional variation in garnet has been undertaken in a garnet–pyroxene‐bearing granulite from the high‐grade Gföhl Unit, Moldanubian Zone, Lower Austria. Textural observations, together with the interpretation of the preserved garnet chemistry, enables the recognition of both prograde core and peak metamorphic garnet mantle growth stages, an extremely rare feature in high‐P–T granulite facies rocks. Initial thermobarometric calculations undertaken across whole garnet zoning profiles show how correct interpretation of a zoning profile is essential if the maximum peak metamorphic P–T conditions are to be recovered. The effect of retrograde decompression‐ and cooling‐driven reactions on inclusion and host garnet compositions has also been assessed. The results indicate that caution should be exercised when utilizing inclusion and adjacent garnet compositions for the thermobarometric evaluation of peak metamorphic equilibration conditions. Peak P–T conditions were determined by the TWEEQU thermobarometric method, utilizing the core compositions of matrix phases combined with the interpreted high‐P–T garnet mantle composition, to give 15.6 kbar and 1090 °C, consistent with previously determined results for Moldanubian granulites. Similar high‐P–T estimates are also provided by a re‐evaluation of previously published results for a granulite sample from the same lithological unit, using a modified interpretation of garnet and plagioclase compositional data. The new estimates presented confirm the previously disputed idea that the Gföhl Unit underwent a high‐pressure granulite facies stage and is therefore distinctly different from the underlying tectonostratigraphic units. It is emphasized that any interpretation of the peak metamorphic conditions in high‐grade rocks must be based on detailed petrographic observations combined with a thorough understanding of the co‐existing equilibrium mineral compositions.     

Sedimentary facies,production rates and facies models for recent coralline algal gravels,Co. Galway,Ireland

Five sedimentary facies are described from SCUBA diving examination and sampling of Mannin Bay, Ireland. A Bank facies is built up by the unattached coralline algae Lithothamnium corallioides and Phymatolithon calcareum. This autochthonous facies occurs in shallow sheltered environments. In exposed areas a rippled Clean Algal Gravel facies is found composed of coralline and molluscan debris. In intermediate energy areas a Muddy Algal Gravel facies is found with small amounts of live corallines. Sheltered creeks have a Mud facies which is partly carbonate and partly terrigenous. The shallow water coralline algal sediments are overlapped by a Fine Sand facies of mixed biogenic composition. Each facies is characterized by particular phenotypic growth forms of the unattached corallines. Rates of organic calcium carbonate production are obtained which are found to be similar to rates from shallow tropical non-reef environments. The carbonate sediments of Mannin Bay are compared with similar sediments from Kilkerrin Bay. Ireland, from Brittany and from Falmouth Harbour. From these comparisons, facies models are proposed for these carbonate sediments. The major factor controlling facies distribution is coastal morphology. The present day shelf is considered to be too exposed to preserve complete sequences of the shallow water sediments.     

Molecular dynamics simulations of the phase transition between low-temperature and high-temperature clinoenstatites

 Phase transition between low-temperature clinoenstatite (LT-CEn) and high-temperature clinoenstatite (HT-CEn) was studied by using molecular dynamics (MD) simulations, based on empirical potential parameters. Starting from LT-CEn, the MD calculations were carried out at atmospheric pressure and at elevated pressures (1–6 GPa). At elevated temperatures the transformation from the starting LT-CEn to HT-CEn occurred at any pressure. It was confirmed that the HT-CEn has the same space group C2/c as diopside but the M2 site is six-coordinated, unlike diopside. A significant difference in the MD-simulated cell volumes between LT-CEn and HT-CEn was also observed, showing a first-order transition. In addition, there were some temperature ranges where LT-CEN and HT-CEn would be coexistent and very small thermal hystereses between increasing and decreasing temperatures during the transition. These behaviors are consistent with the characteristic of a thermoelastic-martensitic transformation. The phase boundary between LT-CEn and HT-CEn was determined for the first time. Its positive dT/dP slope strongly shows that the high-pressure clinoenstatite is a significantly distinct phase from HT-CEn although the both phases have the same space group, C2/c. Received: 8 November 2000 / Accepted: 28 April 2001     

Tertiary deltaic and lacustrine organic facies: comparison of biomarker and kerogen distributions

Biological marker and kerogen compositional data in Tertiary deltaic and lacustrine settings were compared and contrasted. The two settings are represented by (a) coals and organic-carbon-rich shales in a ick deltaic sequence from the Far East, constituting three distinct organic facies, and (b) humic coals and spropelic oil shales in a restricted intermontane (freshwater) lacustrine sequence from western Montana (U.S.A.), constituting two distinct organic facies. Wedistinguish the organic facies in each depositional setting by systematic differences in gross compound class distributions, kerogen and infrared spectral characteristics, molecular character of pyrolyzates, sterane carbon number distribution and sterane/hopane ratios. The kerogens of the three deltaic organic facies are characterized by varying quantities of vitrinite, resinite, sporinite, cutinite and fluorescent amorphinite. Triterpane distributions reveal numerous terrigenous compounds, including oleanane, oleanenes and unidentified C₃₀ (presumably) resin-derived components. The two organic facies of the freshwater lacustrine setting are distinguishedased upon either a vitrinite or an alganite/fluorescent amorphinite predominance in the kerogen. Numerous characteristics facies-related markers are also present, including dehydroabietane (land plant resins) and 4-methylsteranes (perhaps from freshwater dinoflagellate input). The available molecular and petrographic data are evaluated, and characteristics are proposed for distinguishing five organic facies of these two depositional settings. The successful simultaneous use of molecular geochemistry and organic petrography in this study provides a format for refining the organic facies concept.