Rigid unit modes in the molecular dynamics simulation of quartz and the incommensurate phase transition

A molecular dynamics simulation of quartz at different temperatures both in the a and in the phase has been conducted. The - phase transition could be observed. A phonon analysis of the -phase confirms and rounds out in a quantitative way the origin of the incommensurate (ic) modulated phase. In particular it traces the optic soft mode at becoming (to a good approximation) a so-called rigid unit mode (RUM) at q0, and elucidates its coupling to the transverse acoustic mode which precipitates the incommensurate transition. This success underpins and illuminates the concept of RUMs and their role in structural phase transitions.     

African linkage of Precambrian Sri Lanka

New age and isotopic data show that the high-grade basement rocks of Sri Lanka were not linked to the Archaean granulite domain of southern India but experienced their main structural and metamorphic development during the Pan-African event some 950 to 550 Ma ago. This occurred when West Gondwana and East Gondwana collided to form one of the longest collisional structures in the Supercontinent — the Mozambique belt that extends from Mozambique to Ethiopia and Sudan. A major tectonic boundary, interpreted as a thrust zone, divides the Highland/Southwestern Complex in the central part of Sri Lanka from the Vijayan Complex in the E and SE. The former is interpreted to represent the remnant of a once extensive passive margin extending west, in a Gondwana reconstruction, via Madagasgar to Tanzania and Mozambique. The Vijayan Complex may have been part of a separate continental margin plutonic assemblage, and its collision with the Highland/ Southwestern Complex marks the final amalgamation of East and West Gondwana into a supercontinent some 550 Ma ago. The Sri Lankan granulites cannot be correlated with the distinctly older granulites of the Eastern Ghats belt of India, and this suggests that Sri Lanka was situated close to the SE coast of Madagascar in a Gondwana reconstruction.

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Zusammenfassung Neue Isotopen- und Altersdaten aus dem metamorphen Grundgebirge von Sri Lanka zeigen, daß dieses Gebiet nicht, wie vielfach vermutet, Teil des archaischen Granulitkomplexes von Südindien war, sondern seine strukturelle und metamorphe Entwicklung während der panafrikanischen Orogenèse zwischen ca. 950 Ma und ca. 550 Ma hatte. Diese Orogenèse ist das Resultat der Kollision zwischen West-Gondwana (Afrika und Südamerika) und Ost-Gondwana (Südindien, Australien und Antarktis) und führte zur Bildung eines der längsten Kollisionsgürtel des Superkontinentes, dem Mosambik-Gürtel, der sich von Mosambik bis nach Äthiopien und in den Sudan erstreckt. Der West- und Zentralteil Sri Lankas mit den Wanni und Highland/Southwestern Komplexen wird vom Vijayan Komplex im Osten und Südosten durch eine Überschiebungszone getrennt, die möglicherweise eine Sutur darstellt. Die Gesteine im Westen und in den Highlands werden als der Rest eines ehemals weiträumigen passiven Kontinentalrandes interpretiert, zu dem wohl auch die lithologisch ähnlichen Abfolgen der hochmetamorphen Gebiete in Mosambik, Tansania und Madagaskar gehörten. Der Vijayan Komplex war wohl Teil der separaten plutonischen Suite eines aktiven Kontinentalrandes, und seine Kollision mit dem Highland/ Southwestern Komplex markiert das endgültige Verschweißen von West- und Ost-Gondwana zu einem Superkontinent vor ca. 550 Ma. Die Granulite Sri Lankas können nicht mit den deutlich älteren Granuliten des Gürtels der Eastern Ghats in Südost Indien korreliert werden sondern ähneln eher den hochgradigen Gesteinen in Südost Madagaskar. Damit ist die Lage Sri Lankas nahe Madagaskar in einer Gondwana Rekonstruktion wahrscheinlicher als nahe der Südostküste Indiens.

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Résumé De nouvelles données isotopiques et géochronologiques montrent que les roches métamorphiques du socle du Sri Lanka ne constituent pas, comme on l'a souvent cru, une partie du complexe granulitique archéen de l'Inde méridionale, mais qu'elles ont vécu leur propre histoire tectono-métamorphique au cours de l'orogenèse panafricaine, entre 950 et 550 Ma. Cette orogenèse est le résultat de la collision entre le Gondwana occidental (Afrique et Amérique du Sud) et le Gondwana oriental (Inde du sud, Australie et Antarctique) et constitue une des plus grandes chaînes de collision du Supercontinent: la chaîne du Mozambique, qui s'étend du Mozambique jusqu'au Soudan et en Ethiopie. Un contact tectonique majeur, interprété comme un charriage, sépare le »Highland/South-western Complex« (partie centrale du Sri Lanka) du »Vijayan Complex« (partie est et sud-est). Le premier de ces complexes est interprété comme un reste d'une ancienne marge passive de grande étendue, à laquelle appartenaient aussi les séries lithologiquement analogues du domaine très métamorphique du Mozambique, de Tanzanie et de Madagascar. Le «Vijagan Complex« a pu être une partie d'un ensemble plutonique séparé de marge active; sa collision avec le »Highland/Southwestern Complex« marque la réunion finale en un super-continent il y a quelque 550 Ma, des Gondwanas oriental et occidental. Les granulites du Sri Lanka ne peuvent pas être corrélées avec celles de la chaîne des Eastern Ghats (Inde du sud-est) qui sont nettement plus anciennes; elles se rapprochent plutôt des roches très métamorphiques du sud-est de Madagascar. On en déduit que la position du Sri Lanka, dans une reconstruction du Gondwana, devait être plus proche de Madagascar que de la côte sud de l'Inde.

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The lunar geochemistry of chromium and vanadium

Crystal/liquid partition coefficients for Cr, V, Mn, and Fe have been determined experimentally between olivine, orthopyroxene, clinopyroxene and silicate melt possesing the composition of a primitive lunar green glass, at oxygen fugacities appropriate to the lunar interior. These species all behave essentially as compatible elements and possess crystal/liquid partition coefficients mostly between 0.3 and 0.9. Partition coefficients for Cr, V, and Mn are generally similar to those of Fe. This implies that crystal/liquid fractionation processes in the lunar interior which do not involve the participation of spinels would not have been effective in fractionating MnO, CrO, and VO from FeO. The well-known constancy of FeO/MnO ratios in nearly all lunar rocks is a reflection of this behaviour. It is shown that comparably strong correlations between CrO-;FeO and VO-;FeO exist for lunar highland breccias and soils from all sites and that these correlations extend to primitive lunar volcanic glasses associated with mare volcanism, strongly suggesting that the CrO/FeO and VO/FeO ratios so derived are of global importance. The observed ratios characterizing differentiated regions of the Moon can be combined with the corresponding ratios for residual refractory portions of the Moon, using measured partition coefficients for Fe, Mg, Cr, V, and Mn between olivine, orthopyroxene and liquid. Bulk Moon abundances for Cr and V have been calculated for a range of reasonable assumptions concerning the petrogenetic relationships between differentiated portions of the Moon and complementary refractory residua consisting of olivine and orthopyroxene mineralogies. Because of the small differences in crystal liquid partition coefficients between FeO, CrO, and VO, these estimates are insensitive to large variations in the models. The bulk Moon is accordingly estimated to contain 2190–2463 ppm Cr and 79–95 ppm V. These values are very similar to the Cr and V contents of the Earth's mantle, estimated as 3010 ppm Cr and 81 ppm V by Sun (1982). The geochemical implications of these similarities are discussed.     

Archean high-Mg monzodiorite–syenite,epidote skarn,and biotite–sericite gold lodes in the Granny Smith–Wallaby district,Australia: U–Pb and Re–Os chronometry of two intrusion-related hydrothermal systems

The Granny Smith (37 t Au production) and Wallaby deposits (38 t out of a 180 t Au resource) are located northeast of Kalgoorlie, in 2.7 Ga greenstones of the Eastern Goldfields Province, the youngest orogenic belt of the Yilgarn craton, Western Australia. At Granny Smith, a zoned monzodiorite–granodiorite stock, dated by a concordant titanite–zircon U–Pb age of 2,665 ± 3 Ma, cuts across east-dipping thrust faults. The stock is fractured but not displaced and sets a minimum age for large-scale (1 km) thrust faulting (D2), regional folding (D1), and dynamothermal metamorphism in the mining district. The local gold–pyrite mineralization, controlled by fractured fault zones, is younger than 2,665 ± 3 Ma. In augite–hornblende monzodiorite, alteration progressed from a hematite-stained alkali feldspar–quartz–calcite assemblage and quartz–molybdenite–pyrite veins to a late reduced sericite–dolomite–albite assemblage. Gold-related monazite and xenotime define a U–Pb age of 2,660 ± 5 Ma, and molybdenite from veins a Re–Os isochron age of 2,661 ± 6 Ma, indicating that mineralization took place shortly after the emplacement of the main stock, perhaps coincident with the intrusion of late alkali granite dikes. At Wallaby, a NE-trending swarm of porphyry dikes comprising augite monzonite, monzodiorite, and minor kersantite intrudes folded and thrust-faulted molasse. The conglomerate and the dikes are overprinted by barren (<0.01 g/t Au) anhydrite-bearing epidote–actinolite–calcite skarn, forming a 600-m-wide and >1,600-m-long replacement pipe, which is intruded by a younger ring dike of syenite porphyry pervasively altered to muscovite + calcite + pyrite. Skarn and syenite are cut by pink biotite–calcite veins, containing magnetite + pyrite and subeconomic gold–silver mineralization (Au/Ag = 0.2). The veins are associated with red biotite–sericite–calcite–albite alteration in adjacent monzonite dikes. Structural relations and the concordant titanite U–Pb age of the skarn constrain intrusion-related mineralization to 2,662 ± 3 Ma. The main-stage gold–pyrite ore (Au/Ag >10) forms hematite-stained sericite–dolomite–albite lodes in stacked D2 reverse faults, which offset skarn, syenite, and the biotite–calcite veins by up to 25 m. The molybdenite Re–Os age (2,661 ± 10 Ma) of the ore suggests a genetic link to intrusive activity but is in apparent conflict with a monazite–xenotime U–Pb age (2,651 ± 6 Ma), which differs from that of the skarn at the 95% confidence level. The time relationships at both gold deposits are inconsistent with orogenic models invoking a principal role for metamorphic fluids released during the main phase of compression in the fold belt. Instead, mineralization is related in space and time to late-orogenic, magnetite-series, high-Mg monzodiorite–syenite intrusions of mantle origin, characterized by Mg/(Mg + Fe_TOTAL) = 0.31–0.57, high Cr (34–96 ppm), Ni (22–63 ppm), Ba (1,056–2,321 ppm), Sr (1,268–2,457 ppm), Th (15–36 ppm), and rare earth elements (total REE: 343–523 ppm). At Wallaby, shared Ca–K–CO₂ metasomatism and Th-REE enrichment (in allanite) link Au–Ag mineralization in biotite–calcite veins to the formation of the giant epidote skarn, implicating a Th + REE-rich syenite pluton at depth as the source of the oxidized hydrothermal fluid. At Granny Smith, lead isotope data and the Rb–Th–U signature of early hematite-bearing wall-rock alteration point to fluid released by the source pluton of the differentiated alkali granite dikes.     

Detailed <Superscript>40</Superscript>Ar/<Superscript>39</Superscript>Ar dating of geologic events associated with the Mantos Blancos copper deposit,northern Chile

The ⁴⁰Ar/³⁹Ar geochronological method was applied to date magmatic and hydrothermal alteration events in the Mantos Blancos mining district in the Coastal Cordillera of northern Chile, allowing the distinction of two separate mineralization events. The Late Jurassic Mantos Blancos orebody, hosted in Jurassic volcanic rocks, is a magmatic-hydrothermal breccia-style Cu deposit. Two superimposed mineralization events have been recently proposed. The first event is accompanied by a phyllic hydrothermal alteration affecting a rhyolitic dome. The second mineralization event is related to the intrusion of bimodal stocks and sills inside the deposit. Because of the superposition of several magmatic and hydrothermal events, the obtained ⁴⁰Ar/³⁹Ar age data are complex; however, with a careful interpretation of the age spectra, it is possible to detect complex histories of successive emplacement, alteration, mineralization, and thermal resetting. The extrusion of Jurassic basic to intermediate volcanic rocks of the La Negra Formation is dated at 156.3 ± 1.4 Ma (2σ) using plagioclase from an andesitic lava flow. The first mineralization event and associated phyllic alteration affecting the rhyolitic dome occurred around 155–156 Ma. A younger bimodal intrusive event, supposed to be equivalent to the bimodal stock and sill system inside the deposit, is probably responsible for the second mineralization event dated at ca. 142 Ma. Other low-temperature alteration events have been dated on sericitized plagioclase at ca. 145–146, 125, and 101 Ma. This is the first time that two distinct mineralization events have been documented from radiometric data for a copper deposit in the metallogenic belt of the Coastal Cordillera of northern Chile. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Relationship between footwall composition,crustal contamination,and fluid–rock interaction in the Platreef,Bushveld Complex,South Africa

In the northern limb of the 2.06-Ga Bushveld Complex, the Platreef is a platinum group elements (PGE)-, Cu-, and Ni-mineralized zone of pyroxenite that developed at the intrusion margin. From north to south, the footwall rocks of the Platreef change from Archaean granite to dolomite, hornfels, and quartzite. Where the footwall is granite, the Sr-isotope system is more strongly perturbed than where the footwall is Sr-poor dolomite, in which samples show an approximate isochron relationship. The Nd-isotope system for samples of pyroxenite and hanging wall norite shows an approximate isochron relationship with an implied age of 2.17 ± 0.2 Ga and initial Nd-isotope ratio of 0.5095. Assuming an age of 2.06 Ga, the ɛNd values range from −6.2 to −9.6 (ave. −7.8, n = 17) and on average are slightly more negative than the Main Zone of the Bushveld. These data are consistent with local contamination of an already contaminated magma of Main Zone composition. The similarity in isotope composition between the Platreef pyroxenites and the hanging wall norites suggests a common origin. Where the country rock is dolomite, the Platreef has generally higher plagioclase and pyroxene δ ¹⁸O values, and this indicates assimilation of the immediate footwall. Throughout the Platreef, there is considerable petrographic evidence for sub-solidus interaction with fluids, and the Δ _{plagioclase–pyroxene} values range from −2 to +6, which indicates interaction at both high and low temperatures. Whole-rock and mineral δD values suggest that the Platreef interacted with both magmatic and meteoric water, and the lack of disturbance to the Sr-isotope system suggests that fluid–rock interaction took place soon after emplacement. Where the footwall is granite, less negative δD values suggest a greater involvement of meteoric water. Consistently higher values of Δ _{plagioclase–pyroxene} in the Platreef pyroxenites and hanging wall norites in contact with dolomite suggest prolonged interaction with CO₂-rich fluid derived from decarbonation of the footwall rocks. The overprint of post crystallization fluid–rock interaction is the probable cause of the previously documented lack of correlation between PGE and sulfide content on the small scale. The Platreef in contact with dolomite is the focus of the highest PGE grades, and this suggests that dolomite contamination played a role in PGE concentration and deposition, but the exact link remains obscure. It is a possibility that the CO₂ produced by decarbonation of assimilated dolomite enhanced the process of PGE scavenging by sulfide precipitation.     

The Mordor Alkaline Igneous Complex,Central Australia: PGE-enriched disseminated sulfide layers in cumulates from a lamprophyric magma

The Mordor Alkaline Igneous Complex (MAIC) is a composite intrusion comprising a body of syenite and a funnel-shaped layered mafic–ultramafic intrusion of lamprophyric parentage, the Mordor Mafic–Ultramafic Intrusion or MMUI. The MMUI is highly unusual among intrusions of lamprophyric or potassic parentage in containing primary magmatic platinum-group element (PGE)-enriched sulfides. The MMUI sequence consists largely of phlogopite-rich pyroxenitic cumulates, with an inward dipping conformable layer of olivine-bearing cumulates divisible into a number of cyclic units. Stratiform-disseminated sulfide accumulations are of two types: disseminated layers at the base of cyclic units, with relatively high PGE tenors; and patchy PGE-poor disseminations within magnetite-bearing upper parts of cyclic units. Sulfide-enriched layers at cycle bases contain anomalous platinum group element contents with grades up to 1.5 g/t Pt+Pd+Au over 1-m intervals, returning to background values of low parts per billion (ppb) on a meter scale. They correspond to reversals in normal fractionation trends and are interpreted as the result of new magma influxes into a continuously replenished magma chamber. Basal layers have decoupled Cu and PGE peaks reflecting increasing PGE tenors up-section, due to increasing R factors during the replenishment episode, or progressive mixing of between resident PGE-poor magma and more PGE-enriched replenishing magma. The presence of PGE enriched sulfides in cumulates from a lamprophyric magma implies that low-degree partial melts do not necessarily leave sulfides and PGEs in the mantle restite during partial melting. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Fluid and source magma evolution of the Questa porphyry Mo deposit,New Mexico,USA

Combined fluid inclusion microthermometry and microanalysis by laser ablation inductively coupled plasma mass spectrometry (LA-ICPMS) are used to constrain the hydrothermal processes forming a typical Climax-type porphyry Mo deposit. Molybdenum mineralisation at Questa occurred in two superimposed hydrothermal stages, a magmatic-hydrothermal breccia and later stockwork veining. In both stages, texturally earliest fluids were single-phase, of low salinity (~7 wt.% NaCl_equiv.) and intermediate-density. Upon decompression to ~300 bar, they boiled off a vapour phase, leaving behind a residual brine (up to 45 wt.% NaCl_equiv) at temperatures of ~420°C. The highest average Mo concentrations in this hot brine were ~500 μg/g, exceeding the Mo content of the intermediate-density input fluid by about an order of magnitude and reflecting pre-concentration of Mo by fluid phase separation prior to MoS₂ deposition from the brine. Molybdenum concentrations in brine inclusions, then, decrease down to 5 μg/g, recording Mo precipitation in response to cooling of the saline liquid to ~360°C. Molybdenite precipitation from a dense, residual and probably sulphide-depleted brine is proposed to explain the tabular shape of the ore body and the absence of Cu-Fe sulphides in contrast to the more common Cu-Mo deposits related to porphyry stocks. Cesium and Rb concentrations in the single-phase fluids of the breccia range from 2 to 8 and from 40 to 65 μg/g, respectively. In the stockwork veins, Cs and Rb concentrations are significantly higher (45–90 and 110–230 μg/g, respectively). Because Cs and Rb are incompatible and hydrothermally non-reactive elements, the systematic increase in their concentration requires two distinct pulses of fluid exsolution from a progressively more fractionated magma. By contrast, major element and ore metal concentrations of these two fluid pulses remain essentially constant. Mass balance calculations using fluid chemical data from LA-ICPMS suggest that at least 25 km³ of melt and 7 Gt of deep input fluid were necessary to provide the amount of Mo contained in the stockwork vein stage alone. While the absolute amounts of fluid and melt are uncertain, the well-constrained element ratios in the fluids together with empirical fluid/melt partition coefficients derived from the inclusion analyses suggest a high water content of the source melt of ~10%. In line with other circumstantial evidence, these results suggest that initial fluid exsolution may have occurred at a confining pressure exceeding 5 kbar. The source of the molybdenum-mineralising fluids probably was a particularly large magma chamber that crystallised and fractionated in the lower crust or at mid-crustal level, well below the shallow intrusions immediately underlying Questa and other porphyry molybdenum deposits. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Late Carboniferous porphyry copper mineralization at La Voluntad,Neuquén,Argentina: Constraints from Re–Os molybdenite dating

The La Voluntad porphyry Cu–Mo deposit in Neuquén, Argentina, is one of several poorly known porphyry-type deposits of Paleozoic to Early Jurassic age in the central and southern Andes. Mineralization at La Voluntad is related to a tonalite porphyry from the Chachil Plutonic Complex that intruded metasedimentary units of the Piedra Santa Complex. Five new Re–Os molybdenite ages from four samples representing three different vein types (i.e., quartz–molybdenite, quartz–sericite–molybdenite and quartz–sericite–molybdenite ± chalcopyrite–pyrite) are identical within error and were formed between ~312 to ~316 Ma. Rhenium and Os concentrations range between 34 to 183 ppm and 112 to 599 ppb, respectively. The new Re–Os ages indicate that the main mineralization event at La Voluntad, associated to sericitic alteration, was emplaced during a time span of 1.7 ± 3.2 Ma and that the deposit is Carboniferous in age, not Permian as previously thought. La Voluntad is the oldest porphyry copper deposit so far recognized in the Andes and indicates the presence of an active magmatic arc, with associated porphyry style mineralization, at the proto-Pacific margin of Gondwana during the Early Pennsylvanian.     

Morphological analysis of the drainage system in the Eastern Alps

We study the morphology of the major rivers draining the Eastern Alps to test whether the active tectonics of this part of the orogen is reflected in the shape of channel profiles of the river network. In our approach we compare channel profiles measured from digital elevation models with numerically modelled channel profiles using a stream power approach. It is shown that regions of high stream power coincide largely with regions of highest topography and largest uplift rates, while the forelands and the Pannonian Basin are characterised by a significantly lower stream power. From stream power modelling we conclude that there is young uplift at the very east of the Eastern Alps, in the Bohemian Massif and in the Pohorje Range. The impact of the Pleistocene glaciations is explored by comparing properties of rivers that drain in proximal and distal positions relative to the ice sheet during the last glacial maximum. Our analysis shows that most knick points, wind gaps and other non-equilibrium features of catchments covered by ice during the last glaciations (Salzach, Enns) can be correlated with glacial processes. In contrast the ice free catchments of the Mur and Drava are characterized by channels in morphological equilibrium at the first approximation and are showing only weak evidence of the strong tectonic activity within these catchments. Finally, the channel profiles of the Adige and the divide between the upper Rhine and Danube catchments differ significantly from the other catchments. We relate this to the fact that the Adige and the Rhine respond to different base levels from the remainder of the Eastern Alps: The Adige may preserve a record from the Messininan base level change and the Rhine is subject to the base level lowering in the Rhine Graben.