Electronic structures of sulfide minerals — Theory and experiment

The sulfide minerals exhibit a rich diversity in sturctural chemistry and in electrical, magnetic and other physical properties. Models based on molecular orbital theory and incorporating some elements of band theory can be developed to describe the diverse valence electron behavior in these minerals. Qualitative models can be proposed on the basis of observed properties, and the models can be tested and refined using experimental data from X-ray emission and X-ray photoelectron spectroscopy and quantum mechanical calculations performed on cluster units which form the basic building blocks of the crystals. This approach to chemical bonding in sulfide minerals is illustrated for binary non-transition metal sulfides (ZnS, CdS, HgS, PbS), binary transition metal sulfides (FeS₂, CoS₂, NiS₂, CuS₂ ZnS₂) and more complex sulfides (CuFeS₂, Cu₂S, Ag₂S, CuS, Co₃S₄, CuCo₂S₄, Fe₃S₄). The relationship between qualitative and quantitative theories is reviewed with reference to the pyrite-marcasite-arsenopyrite-loellingite series of minerals. Application of the models to understanding structure-determining principles, relative stabilities, solid solution limits and properties such as color, reflectance and hardness are discussed.     

Response to comment by Keith Beven on “Equifinality of formal (DREAM) and informal (GLUE) Bayesian approaches in hydrologic modeling?”

In recent years, a strong debate has emerged in the hydrologic literature regarding what constitutes an appropriate framework for uncertainty estimation. Particularly, there is strong disagreement whether an uncertainty framework should have its roots within a proper statistical (Bayesian) context, or whether such a framework should be based on a different philosophy and implement informal measures and weaker inference to summarize parameter and predictive distributions. In this paper, we compare a formal Bayesian approach using Markov Chain Monte Carlo (MCMC) with generalized likelihood uncertainty estimation (GLUE) for assessing uncertainty in conceptual watershed modeling. Our formal Bayesian approach is implemented using the recently developed differential evolution adaptive metropolis (DREAM) MCMC scheme with a likelihood function that explicitly considers model structural, input and parameter uncertainty. Our results demonstrate that DREAM and GLUE can generate very similar estimates of total streamflow uncertainty. This suggests that formal and informal Bayesian approaches have more common ground than the hydrologic literature and ongoing debate might suggest. The main advantage of formal approaches is, however, that they attempt to disentangle the effect of forcing, parameter and model structural error on total predictive uncertainty. This is key to improving hydrologic theory and to better understand and predict the flow of water through catchments.     

A Sensitivity Analysis of the Waterline Method of Constructing a Digital Elevation Model for Intertidal Areas in ERS SAR scene of Eastern England

A sensitivity analysis of the waterline method of constructing a Digital Elevation Model (DEM) of an intertidal zone using remote sensing and hydrodynamic modelling is described. Variation in vertical height accuracy as a function of beach slope is investigated using a set of nine ERS Synthetic Aperture Radar (SAR) images of the Humber/Wash area on the English east coast acquired between 1992 and 1994. Waterlines from these images are heighted using a hydrodynamic tide-surge model and interpolated using block kriging. On 1:500 slope beaches, an average block height estimation standard deviation of 18–22 cm is achieved. This rises to 27 cm on 1:100 slope beaches, and 32 cm on 1:30 slope beaches. The average heighting error at different slopes is decomposed into components due to waterline heighting error, inadequate sensor resolution and interpolation inaccuracy. It is shown that, at 1:500 slope, waterline heighting error and interpolation inaccuracy are the main error sources, whilst at 1:30 slope, errors due to inadequate sensor resolution become dominant. The ability of the technique to generate intertidal DEMs for almost the entire coastal zone in a complete ERS SAR scene covering 100×100 km is demonstrated.     

Comparison of atmospheric aerosol backscattering and air mass back trajectories

Summary Atmospheric backscattering from aerosol particulates has been measured over the Atlantic at 10.6 μm wavelength with an airborne, coherent heterodyne, lidar, and corresponding air mass back trajectories have been calculated. These back trajectories (usually extended up to 10 days prior to the backscatter measurement) have shown very diverse origins for the air parcels at different altitudes. In many cases it has been possible to attribute the observed levels of scattering to these origins over oceanic, arctic, continental, industrial etc. regions. This is illustrated by 6 flight records: out of Ascension Island in the South Atlantic; over the Azores in the mid North Atlantic; over the UK and the North Sea; and in the Arctic along 71° North. In each of these regions the profiles of backscatter versus altitude show highly variable features; remarkably different origins for air masses at different altitudes are evident from the corresponding back trajectory analyses. It is thus possible for the first time to present probable explanations for the different levels of scattering observed at different altitudes. Received July 14, 2000 Revised May 14, 2001     

http://www.sciencedirect.com/science/article/pii/S1674987111000508

This paper presents the results of a set of numerical models focussing on structural controls on hydrothermal mineralization.We first give an overview of natural phenomena of structurally-controlled ore formation and the background theory and mechanisms for such controls. We then provide the results of a group of simple 2D numerical models validated through comparison with Cu-vein structure observed near the Shilu Copper deposit(Yangchun,Guangdong Province, China) and finally a case study of 3D numerical modelling applied to the Hodgkinson Province in North Queensland(Australia).Two modelling approaches,discrete deformation modelling and continuum coupled deformation and fluid flow modelling,are involved.The 2D model-derived patterns are remarkably consistent with the Cu-vein structure from the Shilu Copper deposit,and show that both modelling approaches can realistically simulate the mechanical behaviours of shear and dilatant fractures.The continuum coupled deformation and fluid flow model indicates that pattern of the Cuveins near the Shilu deposit is the result of shear strain localization,development of dilation and fluid focussing into the dilatant fracture segments.The 3D case-study models(with deformation and fluid flow coupling) on the Hodgkinson Province generated a number of potential gold mineralization targets.     

Exurbia from the bottom-up: Confronting empirical challenges to characterizing a complex system

We describe empirical results from a multi-disciplinary project that support modeling complex processes of land-use and land-cover change in exurban parts of Southeastern Michigan. Based on two different conceptual models, one describing the evolution of urban form as a consequence of residential preferences and the other describing land-cover changes in an exurban township as a consequence of residential preferences, local policies, and a diversity of development types, we describe a variety of empirical data collected to support the mechanisms that we encoded in computational agent-based models. We used multiple methods, including social surveys, remote sensing, and statistical analysis of spatial data, to collect data that could be used to validate the structure of our models, calibrate their specific parameters, and evaluate their output. The data were used to investigate this system in the context of several themes from complexity science, including have (a) macro-level patterns; (b) autonomous decision making entities (i.e., agents); (c) heterogeneity among those entities; (d) social and spatial interactions that operate across multiple scales and (e) nonlinear feedback mechanisms. The results point to the importance of collecting data on agents and their interactions when producing agent-based models, the general validity of our conceptual models, and some changes that we needed to make to these models following data analysis. The calibrated models have been and are being used to evaluate landscape dynamics and the effects of various policy interventions on urban land-cover patterns.     

The toxicity of one-hour silver exposures to early-life stages of the surf Spisula solidissima (Dillwyn)

Early life stages of Spisula solidissima (1-, 4-, 8- and 12-h post-fertilization) were exposed to various concentrations of silver in solution (0, 4, 8, 24, 44, 124 and 278 μg liter^?1) for 1 h. An additional group of 1-h post-fertilized eggs was treated with 0, 4, 11 and 24 μg liter^?1 silver continuously for 48h. Results indicate that younger embryos are more susceptible to Ag. Exposure of one-hour-old embryos to silver for only 1 h gives results similar to a continuous 48-h exposure to the same concentration of Ag. The calculated EC₅₀ for 48-h continuously exposed embryos was similar to the EC₅₀ for 1-h post-fertilized embryos that were exposed to silver for only 1 h.     

Soil erosion,climatic vagary and agricultural change on the Downs around Lewes and Brighton,autumn 1982

Farmland on the Downs between Lewes and Brighton suffered severe erosion during the autumn of 1982. The erosion was widespread and affected a variety of topographic situations, but it was confined to areas of arable land and recently-sown grass leys. Erosion on the scale recorded during the autumn of 1982 has never previously been recorded from this area. Three major sites of erosion are described and explanations for the erosion are sought through an analysis of rainfall conditions experienced during autumn 1982 and in recent changes in agricultural land use on the Downs. It is concluded that, whilst total rainfall and the intensity of rainstorms were both unusually high, similar events are likely to recur several times a century. Evidence is presented which suggests that the ploughing up of permanent pasture, the removal of field boundaries and the increased adoption of autumn-sown cereals have all contributed to the onset of severe erosion. It appears that a major re-activation of erosion on the Downs may be commencing which threatens the long-term viability of farming in the area.