Defect properties of albite

Knowledge of the defect properties of Lunar and Mercurian minerals has recently become important, with the advent of models which attempt to explain the formation of the thin exosphere of these celestial bodies. Here, we have calculated the formation energies of sodium and oxygen vacancies in the mineral albite (NaAlSi₃O₈), as well as the Schottky defect energy for the removal of a Na₂O unit. We have employed both the supercell and Mott–Littleton approaches, using Kohn–Sham density functional theory and classical interatomic potential methods. As well as reporting the defect energies and structures, we comment upon the relative merits of the methods used.     

Analysis of COMPTEL gamma-ray burst locations and spectra

In its first three years of operation, the COMPTEL instrument on theCompton Gamma-Ray Observatory has measured the locations (mean accuracy 1°) and spectra (0.75-30 MeV) of 18 gamma-ray bursts and continues to observe new events at a rate of 1/month. With good angular resolution and sensitivity at MeV energies, the growing COMPTEL burst catalog is an important new piece of evidence in the on-going GRB mystery. The COMPTEL burst locations are consistent with an isotropic distribution of sources, yet the spatial coincidence of two of the bursts indicates the possibility of repetition. The COMPTEL burst spectra are in most cases consistent with a single power law model with spectral index in the range 2–3. However, two bursts show evidence of a spectral break in the MeV range. Measurement of rapid variability at MeV energies in the stronger bursts provides evidence that either the sources are nearby (within the Galaxy) or the gamma-ray emission is relativistically beamed. We present an overview of analysis results obtained from the COMPTEL burst catalog concentrating on the search for burst repetition and the implications of highly variable MeV emission.     

Window technique for climate trend analysis

Climatic characteristics are affected by various systematic and occasional impacts: besides the changes in the observing system (locations of the stations of the meteorological network, instruments, observing procedures), the possible local-scale and global natural and antropogenic impacts on climatic conditions should be taken into account. Apart from the predictability problems, the phenomenological analysis of the climatic variability and the determination of past persistent climatic anomalies are significant problems, among other aspects, as evidence of the possible anomalous behavior of climate or for climate impact studies. In this paper, a special technique for the identification of such shifts in the observational series is presented. The existence of these significant shorter or longer term changes in the mean characteristics for the properly selected adjoining periods of time is the necessary condition for the formation of any more or less unidirectional climatic trends. Actually, the window technique is based on a complete set of orthogonal functions. The sensitivity of the proposed model on its main parameters is also investigated. This method is applied for hemispheric and Hungarian data series of the mean annual surface temperature.Contribution to Clima Locarno — Past and Present Climate Dynamics; Conference September 1990, Swiss Academy of Sciences — National Climate Program     

Microfossils in the ‘Complexe de base’ of the Prealpine Helminthoid Flysch (Dranse nappe,Switzerland). - Preliminary results

The Swiss Prealpine Dranse nappe consists of the badly known shaley Complexe de base series and the overlying Campanian to Maastrichtian Helminthoid Flysch. Our preliminary data from the shaley series indicate an Albian to Early Campanian age. It represents mid-slope to abyssal plain starved basin sediments. The occurrence of similar and coeval series in the Carpathians and Ligurian Alps suggest common tectonic and oceanographic conditions.     

Monte Carlo simulation of mixing in Ca3Fe2Ge3O12–Ca4Ge4O12 garnets and implications for the thermodynamic stability of pyrope–majorite solid solution

Static lattice energy calculations, based on empirical pair potentials, were performed for a large set of structures differing in the arrangement of octahedral cations within the garnet 2 × 2 × 2 supercell. The compositions of these structures varied between Ca₃Fe₂Ge₃O₁₂ and Ca₄Ge₄O₁₂. The energies were cluster expanded using pair and quaternary terms. The derived ordering constants were used to constrain Monte Carlo simulations of temperature-dependent mixing properties in the ranges of 1,073–3,673 K and 0–10 GPa. The free energies of mixing were calculated using the method of thermodynamic integration. The calculations predict a wide miscibility gap between Fe-rich (cubic) and Fe-pure (tetragonal) garnets consistent with recent experimental observations of Iezzi et al. (Phys Chem Miner 32:197–207, 2005). It is shown that the miscibility gap arises due to a very strong cation ordering at the Fe-pure composition, driven by the charge difference between Ca²⁺ and Ge⁴⁺ cations. The structural and thermodynamic analogies between Ca–Ge and Mg–Si systems suggest that a similar miscibility gap should exist between pyrope and Mg–Si-majorite.     

Statistical analysis for the hydrogeological evaluation of the fracture networks in hard rocks

The hydrogeological effectiveness of fracture sets is determined and evaluated by the fuzzy c-mean and hierarchical clustering. These cluster analyses combine the geological spatial attributes and the hydraulic relevant attributes of fractures. Based on the results of the clustering the fracture set volumes are estimated.     

Elasticity of tetragonal end-member majorite and solid solutions in the system Mg4Si4O12-Mg3Al2Si3O12

 The adiabatic elastic moduli of polycrystalline En₅₀Py₅₀ and En₈₀Py₂₀ majorite-garnet solid solutions (where En=4MgSiO₃, Py=Mg₃Al₂Si₃O₁₂) and the end-member En₁₀₀ tetragonal majorite were determined at ambient conditions using Brillouin spectroscopy. The adiabatic bulk modulus, K, and shear modulus, μ, of En₅₀Py₅₀ were found to be K=173.1 (20) and μ=92.3 (10) GPa, and are indistinguishable from those of the end-member pyrope, Py₁₀₀. The moduli of the more majorite-rich samples are significantly lower and are virtually identical to each other (K=162.6(11) and μ=85.7(7) for En₈₀Py₂₀; K=166(5) and μ=88(2) for En₁₀₀). In combination with previously reported moduli for this system, we conclude that both K and μ are constant over the compositional range from Py₁₀₀ to a majorite content of about 70–80%, whereupon the moduli decrease substantially. For compositions ranging from En₈₀Py₂₀ to the end-member majorite, the moduli are also approximately independent of composition, but at a lower value. An alternative model with a continuous decrease in moduli with increasing majorite content cannot be excluded, within the uncertainties of existing measurements. The contrast in moduli between aluminous pyrope garnet and Al-free majorite are small compared with the modulus changes accompanying the pyroxene – majorite phase transformation. Received August 16, 1995 /Revised, accepted January 12, 1996     

The Distribution of Redox Sensitive Elements (U, As, Sb, V and Mo) along a River-Wetland-Lake System (Balaton Region, Hungary)

The distribution of redox sensitive elements (U, As,Sb, Mo and V) has been investigated in Lake Balatonand two man-made reservoirs (Lake Kis-Balaton-1 andKis-Balaton-2) built along the River Zala, the mainriver discharging into it. These elements underwentremoval in Lake Kis Balaton-2 (KB-2) during anoxicconditions (May and September).Similarities were found between the distributions ofdissolved As and Sb. Both elements had elevateddissolved concentrations in Lake Kis-Balaton-1 (KB-1)and in Lake Balaton in September. This increasedmobility could be due to a change of speciation (viareduction and the formation of methylated species).Such changes in speciation are well documented in theliterature and are generally enhanced during periodsof warmth and high primary productivity.Dissolved V and Mo distributions also showedsimilarities with higher concentrations in LakeBalaton than in other parts of the system.Although removal is not clearly detected from thedissolved concentrations, U, As, Sb and Mo aresignificantly enriched in the organic-rich sedimentsof Lake KB-1, while V is mainly associated with thealumino-silicate fraction. In Lake KB-1, theconcentrations of all elements in SPM (suspendedparticulate matter) are lower than in the depositedsediments (except for As) suggesting that enrichmentprocesses are occuring in the deposited sediments.Additionnally the cycling of As and Mo can be alsopartly controlled by uptake and scavenging processesin the water column, as suggested by the elevated Asand Mo concentrations observed in SPM seasonnally forAs in Lake KB-1 and at Z.mouth-1 station and for Mo atZ.mouth-1 station and Lake Balaton.     

Detrital thermochronology – a new perspective on hinterland tectonics, an example from the Andean Amazon Basin, Ecuador

In order to understand the significance of detrital grain ages in sedimentary basins, a new approach is presented. Five characteristic paths, identified by the change in age of detrital grain populations combined with the change in lagtime over time, can be related to different geodynamic settings in the source regions. When lagtime and grain age increase over time, a change in source must be invoked – this is usually a direct response to a geological event. A constant cooling age, a vertical path, associated implicitly with increasing lagtime, implies erosion of materials that had passed through the closure temperature rapidly – exhuming sufficient rock to supply detritus over the time of the path. Constant lagtimes, regardless of the lagtime itself, are indicative of thermochronological stability in the source region. This can involve fast or slow cooling. Finally, decreasing lagtimes support the notion of increasing cooling rates in the source regions over time. A test study is presented from sediments of the northern Ecuadorian Sub‐Andean Zone where geological events had previously been identified using alternative methods. The addition of heavy‐mineral studies increased the precision in the interpretation. At 90 Ma, rapidly decreasing lagtimes point to a phase of tectonic activity. From about 85 Ma until about 60 Ma the lagtimes were approximately zero. This represents a phase of rapid exhumation of the source regions correlating with the previously identified Pallatanga event. An associated increase of metamorphic minerals occurs over this time span, pointing to increased erosion from deeper horizons. At about 70 Ma, the oldest source region, the shield to the east, was switched off. This timing correlates with a change from marine to continental conditions in the basin, a change in palaeocurrent directions from the east to the west, as well as an associated influx of material from the growing Cordillera Real. At about 55 Ma, a change in source is identified by a change in slope of the lagtime curve together with a change in heavy minerals. From 50 to 35 Ma a renewed period of tectonism in the source region is correlated with the docking of the Macuchi terrane which clearly had an effect of increased erosion in the Cordillera Real bringing in higher grade metamorphic minerals. From about 32 Ma onwards the lagtime has been somewhat constant at about 30 Myr. This does not imply, however, a steady‐state environment as it is well known from other geological evidence that there have been other events within this time frame. One must be cautious about over‐interpreting the lagtime as a method to determine steady state in any region. It is a matter of scale.