Atomistic simulation of the structure and elastic properties of pyrite (FeS2) as a function of pressure

Interatomic potential parameters have been derived at simulated temperatures of 0 K and 300 K to model pyrite FeS₂. The predicted pyrite structures are within 1% of those determined experimentally, while the calculated bulk modulus is within 7%. The model is also able to simulate the properties of marcasite, even though no data for this phase were included in the fitting procedure. There is almost no difference in results obtained for pyrite using the two potential sets; however, when used to model FeS₂ marcasite, the potential fitted at 0 K performs better. The potentials have also been used to study the high-pressure behaviour of pyrite up to 44 GPa. The calculated equation of state gives good agreement with experiment and shows that the Fe–S bonds shorten more rapidly that the S–S dimer bonds. The behaviour of marcasite at high pressure is found to be similar to that of pyrite.     

Metamorphic petrology and zircon geochronology of high-grade rocks from the central Mozambique Belt of Tanzania: crustal recycling of Archean and Palaeoproterozoic material during the Pan-African orogeny

New data on the metamorphic petrology and zircon geochronology of high‐grade rocks in the central Mozambique Belt (MB) of Tanzania show that this part of the orogen consists of Archean and Palaeoproterozoic material that was structurally reworked during the Pan‐African event. The metamorphic rocks are characterized by a clockwise P–T path, followed by strong decompression, and the time of peak granulite facies metamorphism is similar to other granulite terranes in Tanzania. The predominant rock types are mafic to intermediate granulites, migmatites, granitoid orthogneisses and kyanite/sillimanite‐bearing metapelites. The meta‐granitoid rocks are of calc‐alkaline composition, range in age from late Archean to Neoproterozoic, and their protoliths were probably derived from magmatic arcs during collisional processes. Mafic to intermediate granulites consist of the mineral assemblage garnet–clinopyroxene–plagioclase–quartz–biotite–amphibole ± K‐feldspar ± orthopyroxene ± oxides. Metapelites are composed of garnet‐biotite‐plagioclase ± K‐feldspar ± kyanite/sillimanite ± oxides. Estimated values for peak granulite facies metamorphism are 12–13 kbar and 750–800 °C. Pressures of 5–8 kbar and temperatures of 550–700 °C characterize subsequent retrogression to amphibolite facies conditions. Evidence for a clockwise P–T path is provided by late growth of sillimanite after kyanite in metapelites. Zircon ages indicate that most of the central part of the MB in Tanzania consists of reworked ancient crust as shown by Archean (c. 2970–2500 Ma) and Palaeoproterozoic (c. 2124–1837 Ma) protolith ages. Metamorphic zircon from metapelites and granitoid orthogneisses yielded ages of c. 640 Ma which are considered to date peak regional granulite facies metamorphism during the Pan‐African orogenic event. However, the available zircon ages for the entire MB in East Africa and Madagascar also document that peak metamorphic conditions were reached at different times in different places. Large parts of the MB in central Tanzania consist of Archean and Palaeoproterozoic material that was reworked during the Pan‐African event and that may have been part of the Tanzania Craton and Usagaran domain farther to the west.     

Lithofacies succession of maar crater deposits in the Eifel area (Germany)

ABSTRACT Maar craters often contain exceptionally preserved fossils and maar sediments may reflect detailed environmental changes. Volcanosedimentary processes in a Middle Eocene maar crater lake are illustrated by the deposits of Eckfeld Maar in the Tertiary Hocheifel Volcanic Field (Rhenish Massif, Germany). The maar origin of the basin is evident from a circular negative gravity anomaly which indicates a low-density funnel-shaped basin filling. From the facies analysis of an Eocene (Eckfeld) and a Pleistocene (Döttingen) maar we develop a lithozone classification for the interpretation of maar sediments: syn-/post-eruptive breccias are followed by a fining-upwards sequence of lacustrine mud with coarse layers and final swamp deposits. From the facies analysis and regional geological data we reconstruct the pre- to post-eruptive history of a maar crater prior to post-Eocene uplift. These observations can be used for the interpretation of Tertiary and Quaternary maar craters that are ideal fossil and sediment traps.     

Estimation of causative fault parameters of the Rudbar earthquake of June 20, 1990 from near field SH-wave data

We analyze the strong motion accelerograms recorded for the large (M_S=7.7, M_W=7.3, m_b=6.4) Rudbar earthquake of June 20, 1990. The earthquake had a complex source process. We have identified the imprints of rupture of three localized asperities on the major causative fault on the accelerograms. These asperities are interpreted to correspond to (i) the main shock that initiated the rupture process and was located in the domino block between the Kabateh and Zard Goli faults, (ii) a foreshock that occurred about 10 s earlier in the Kabateh fault and (iii) a later shock, on the western end of the Baklor fault, which terminated the bilateral rupture process at the western end. We estimate the strike, dip and slip of these causative sub-event rupture planes using the SH spectral amplitudes, based on a point source representation of sub-events and a non-linear least square formulation for inversion of the amplitude data. The results of our inversion of the near field data are comparable to other studies based on teleseismic data.     

The early Caledonian (Finnmarkian) event reassessed in Finnmark: Ar/Ar cleavage age data from NW Varangerhalvøya, N. Norway

The relative significance of early (Finnmarkian) and late (Scandian) Caledonian deformation in N. Norway is uncertain. Early studies suggested pervasive Finnmarkian deformation whilst later results indicated a restricted Finnmarkian domain. The present work suggests it was more widespread than accepted and that inter Finnmarkian–Scandian deformation occurred. ⁴⁰Ar/³⁹Ar dating of 2–6 and 6–11 μm pelitic fractions from the lower to mid-greenschist facies Tanahorn Nappe (five samples; base Middle Allochthon) and the epizone Løkvikfjellet and Barents Sea Groups (three samples; North Varanger Region) in the north Scandinavian Caledonides show slightly discordant spectra. Most spectra from the Tanahorn Nappe preserve possible evidence of an early Caledonian event in the high temperature steps, with recoil/excess Ar effects in the low temperature steps; no pre-Caledonian relict component has been recorded. The results indicate Finnmarkian deformation continued to 460 Ma, with Scandian reactivation at 425–415 Ma. From the North Varanger Region, a strongly crenulated sample yielded plateau ages (444–442 Ma); means of combined young steps from weakly to uncrenulated samples gave 470–450 Ma, suggesting penetrative strike-slip deformation occurred in the late Finnmarkian to inter-Finnmarkian–Scandian period. No Scandian ages were recorded in the North Varanger Region. Reassessment of published data from the Laksefjord Nappe and Gaissa Thrust Belt suggests they were affected by Finnmarkian deformation.     

Neoarchaean magmatism and metamorphism of the western granulites in the central domain of the Mozambique belt, Tanzania: U–Pb shrimp geochronology and PT estimates

U–Pb sensitive high resolution ion microprobe (SHRIMP) dating of zircons from charnockitic and garnet–biotite gneisses from the central portion of the Mozambique belt, central Tanzania indicate that the protolith granitoids were emplaced in a late Archaean, ca. 2.7 Ga, magmatic event. These ages are similar to other U–Pb and Pb–Pb ages obtained for other gneisses in this part of the belt. Zircon xenocrysts dated between 2.8 and 3.0 Ga indicate the presence of an older basement. Major and trace element geochemistry of these high-grade gneisses suggests that the granitoid protoliths may have formed in an active continental margin environment. Metamorphic zircon rims and multifaceted metamorphic zircons are dated at ca. 2.6 Ga indicating that these rocks were metamorphosed some 50–100 my after their emplacement. Pressure and temperature estimates on the charnockitic and garnet–biotite gneisses were obscured by post-peak metamorphic compositional homogenisation; however, these estimates combined with mineral textures suggest that these rocks underwent isobaric cooling to 800–850 °C at 12–14 kbar. It is considered likely that the granulite facies mineral assemblage developed during the ca. 2.6 Ga event, but it must be considered that it might instead represent a pervasive Neoproterozoic, Pan African, granulite facies overprint, similar to the ubiquitous eastern granulites further to the east.     

Raman scattering and X-ray diffraction study of the thermal decomposition of an ettringite-group crystal

 A Raman scattering and X-ray diffraction study of the thermal decomposition of a naturally occurring, ettringite-group crystal is presented. Raman spectra, recorded with increasing temperature, indicate that the thermal decomposition begins at ≈55 °C, accompanied by dehydration of water molecules from the mineral. This is in contrast to previous studies that reported higher temperature breakdown of ettringite. The dehydration is completed by 175 °C and this results in total collapse of the crystalline structure and the material becomes amorphous. The Raman scattering results are supported by X-ray diffraction results obtained at increasing temperatures. Received: 9 July 2001 / Accepted: 14 August 2002     

Evidence for fullerenes in solid bitumen from pillow lavas of Proterozoic age from Mítov (Bohemian Massif, Czech Republic)

Andesitic pillow lavas containing biogenic, solid bitumen (SB) are a constituent of a Neoproterozoic volcanosedimentary sequence (Teplá-Barrandian unit, Bohemian Massif) in the Mítov area of the Czech Republic. A black shale formation that is crosscut by these andesitic basalts is 565 Ma old. Carbon disulfide extracts of two powdered samples of SB contain 0.2 and 0.3 ppm of C₆₀, respectively, as determined by high-pressure liquid chromatography. The peak assignment based on retention time is fully supported by high-resolution electron ionization mass spectrometry (EI-MS). No C₇₀ was detected, nor was C₆₀ found in two other SB samples from this locality. Other investigated carbonaceous samples from Bohemia (coals and anthracites of Upper Paleozoic age and anthraxolite, graphitoids, and graphite of Upper Proterozoic age) did not contain fullerenes at concentrations above the detection limit of 0.01 ppm. The absence of C₆₀ in these samples was confirmed by EI-MS. The proposed mechanism of fullerene formation involves a primary algal phase, generation of a hydrocarbonaceous mixture in the course of thermal evolution of the sedimentary series, and their high-temperature transformation related to the extrusion of basalt. An important feature for fullerene conservation was the enclosure of fullerenes in SB with a structure similar to glasslike carbon, where the fullerene was protected against oxidation.     

New observations on the relative sea level and deglacial history of Greenland from Innaarsuit, Disko Bugt

Relative sea level (RSL) data derived from isolation basins at Innaarsuit, a site on the south shores of the large marine embayment of Disko Bugt, West Greenland, record rapid RSL fall from the marine limit (ca. 108 m) at 10,300-9900 cal yr B.P. to reach the present sea level at 3500 cal yr B.P. Since 2000 cal yr B.P., RSL rose ca. 3 m to the present. When compared with data from elsewhere in Disko Bugt, our results suggest that the embayment was deglaciated later and more quickly than previously thought, at or slightly before 10,300 cal yr B.P. The northern part of Disko Bugt experienced less rebound (ca. 10 m at 6000 cal yr B.P.) compared with areas to the south. Submergence during the late Holocene supports a model of crustal down-warping as a result of renewed ice-sheet growth during the neoglacial. There is little evidence for west to east differences in crustal rebound across the southern shores of Disko Bugt.     

Use of phytoplankton species indicators to track the origin of phytoplankton blooms in Willapa Bay, Washington

We focus on the question of whether high phytoplankton production events observed in a United States Pacific Northwest estuary consist of estuarine species blooms fueled by oceanic nutrient input or reflect offshore oceanic blooms that have advected into the estuary. Our approach is to use certain phytoplankton species as indicators associated with water mass origin, either estuarine or oceanic, to help resolve this question in Willapa Bay, Washington. We used species analysis and primary production data from 10 selected dates in May–September of 1998 and 1999, representing periods of high through low productivity. Out of 108 phytoplankton species identified from Willapa Bay, nine were selected and tested as indicators of oceanic species, six as estuarine, and two as surf zone. Our test results demonstrated the oceanic and estuarine species to be satifactory indicators of source waters. The prevalence of these species indicators in our samples revealed that the highest primary production and the appearance ofPseudo-nitzschia spp. were associated with oceanic intrusions of phytoplankton biomass into Willapa Bay. While the largest blooms were oceanic in origin, numerous medium-sized production events were from either oceanic, surf zone, or estuarine sources, indicating a complex situation.