Ab initio 2-D periodic Hartree–Fock study of Fe-substituted lizardite 1T– a simplified cronstedtite model

 A 2-D periodic ab initio Hartree–Fock LCAO study was performed on Fe-substituted 1:1 sheet silicate, lizardite. The atomic orbitals were described by large-core pseudopotentials (Fe atoms) and a sp basis set (the other atoms). Calculated atomic charges and the results of bond population analysis indicate that the Fe-O bond was as ionic as the Mg-O. This hypothesis was supported by calculated density of states and electron density maps. Increasing Fe for Mg substitution changed the shape of projected density of states (PDOS) of O(p) orbitals. Received: 27 January 2000 / Accepted: 21 May 2000     

Low-field magnetic susceptibility: a proxy method of estimating increased pollution of different environmental systems

 A need for rapid and inexpensive (proxy) methods of outlining areas exposed to increased pollution by atmospheric particulates of industrial origin caused scientists in various fields to use and validate different non-traditional (or non-chemical) techniques. Among them, soil magnetometry seems to be a suitable tool, at least in some cases. This method is based on the knowledge that ferrimagnetic particles, namely magnetite, are produced from pyrite during combustion of fossil fuel. Besides the combustion processes, magnetic particles can also originate from road traffic, for example, or can be included in various waste-water outlets. Magnetite, Fe₃O₄, ranks among the main ferrimagnetic minerals and its identification in various ecosystems can contribute to fast and simple outlining of areas and sites exposed to higher pollution impact. Here the method of magnetic mapping of anthropogenic pollution will be introduced using a review of our recent case studies on different ecosystems in the Czech Republic and Germany. Received: 20 June 1998 · Accepted: 9 November 1998     

On the solar rotation and activity

The interaction between differential rotation and magnetic fields in the solar convection zone was recently modelled by Brun (2004). One consequence of that model is that the Maxwell stresses can oppose the Reynolds stresses, and thus contribute to the transport of the angular momentum towards the solar poles, leading to a reduced differential rotation. So, when magnetic fields are weaker, a more pronounced differential rotation can be expected, yielding a higher rotation velocity at low latitudes taken on the average. This hypothesis is consistent with the behaviour of the solar rotation during the Maunder minimum. In this work we search for similar signatures of the relationship between the solar activity and rotation determined tracing sunspot groups and coronal bright points. We use the extended Greenwich data set (1878–1981) and a series of full-disc solar images taken at 28.4 nm with the EIT instrument on the SOHO spacecraft (1998–2000). We investigate the dependence of the solar rotation on the solar activity (described by the relative sunspot number) and the interplanetary magnetic field (calculated from the interdiurnal variability index). Possible rotational signatures of two weak solar activity cycles at the beginning of the 20th century (Gleissberg minimum) are discussed. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A multi‐system geochronology in the Ad‐3 borehole,Pannonian Basin (Hungary) with implications for dating volcanic rocks by low‐temperature thermochronology and for interpretation of (U–Th)/He data

Independent geochronological and thermal modelling approaches are applied to a biostratigraphically exceptionally well‐controlled borehole, Alcsútdoboz‐3 (Ad‐3), in order to constrain the age of Cenozoic geodynamic events in the western Pannonian Basin and to test the efficacy of the methods for dating volcanic rocks. Apatite fission track and zircon U–Pb data show two volcanic phases of Middle Eocene (43.4–39.0 Ma) and Early Oligocene (32.72 ± 0.15 Ma) age respectively. Apatite (U–Th)/He ages (23.8–14.8 Ma) and independent thermal and subsidence history models reveal a brief period of heating to 55–70 °C at ~17 Ma caused by an increased heat‐flow related to crustal thinning and mantle upwelling. Our results demonstrate that, contrary to common perception, the apatite (U–Th)/He method is likely to record ‘apparent’ or ‘mixed’ ages resulting from subsequent thermal events rather than ‘cooling’ or ‘eruption’ ages directly related to distinct geological events. It follows that a direct conversion of ‘apparent’ or ‘mixed’ (U‐Th)/He ages into cooling, exhumation or erosion rates is incorrect.     

How do species and data characteristics affect species distribution models and when to use environmental filtering?

ABSTRACT

Species distribution models (SDMs) are widely used in ecology and conservation. However, their performance is known to be affected by a variety of factors related to species occurrence characteristics. In this study, we used a virtual species approach to overcome the difficulties associated with testing of combined effects of those factors on performance of presence-only SDMs when using real data. We focused on the individual and combined roles of factors related to response variable (i.e. sample size, sampling bias, environmental filtering, species prevalence, and species response to environmental gradients). Results suggest that environmental filtering is not necessarily helpful and should not be performed blindly, without evidence of bias in species occurrences. The more gradual the species response to environmental gradients is, the greater is the model sensitivity to an inappropriate use of environmental filtering, although this sensitivity decreases with higher species prevalence. Results show that SDMs are affected to the greatest degree by the species response to environmental gradients, species prevalence, and sample size. Models’ accuracy decreased with sample size below 300 presences. Furthermore, a high level of interactions among individual factors was observed. Ignoring the combined effects of factors may lead to misleading outcomes and conclusions.     

Triassic to Early Jurassic (c. 200 Ma) UHP metamorphism in the Central Rhodopes: evidence from U–Pb–Th dating of monazite in diamond‐bearing gneiss from Chepelare (Bulgaria)

Evidence for ultrahigh‐pressure metamorphism (UHPM) in the Rhodope metamorphic complex comes from occurrence of diamond in pelitic gneisses, variably overprinted by granulite facies metamorphism, known from several areas of the Rhodopes. However, tectonic setting and timing of UHPM are not interpreted unanimously. Linking age to a metamorphic stage is a prerequisite for reconstruction of these processes. Here, we use monazite in diamond‐bearing gneiss from Chepelare (Bulgaria) to date the diamond‐forming UHPM event in the Central Rhodopes. The diamond‐bearing gneiss comes from a strongly deformed, lithologically heterogeneous zone (Chepelare Mélange) sandwiched between two migmatized orthogneiss units, known as Arda‐I and Arda‐II. Diamond, identified by Raman micro‐spectroscopy, shows the characteristic band mostly centred between 1332 and 1330 cm^?1. The microdiamond occurs as single grains or polyphase diamond + carbonate inclusions, rarely with CO₂. Thermodynamic modelling shows that garnet was stable at UHP conditions of 3.5–4.6 GPa and 700–800 °C, in the stability field of diamond, and was re‐equilibrated at granulite facies/partial melting conditions of 0.8–1.2 GPa and 750–800 °C. The texture of monazite shows older central parts and extensive younger domains which formed due to metasomatic replacement in solid residue and/or overgrowth in melt domains. The monazite core compositions, with distinctly lower Y, Th and U contents, suggest its formation in equilibrium with garnet. The U–Th–Pb dating of monazite using electron microprobe analysis yielded a c. 200 Ma age for the older cores with low Th, Y, U and high La/Nd ratio, and a c. 160 Ma age for the dominant younger monazite enriched in Th, Y, U and HREE. The older age of c. 200 Ma is interpreted as the timing of UHPM, whereas the younger age of c. 160 Ma as granulite facies/partial melting overprint. Our results suggest that UHPM occurred in Late Triassic to Early Jurassic time, in the framework of collision and subduction of continental crust after the closure of Paleotethys.