High-pressure phase transformations of FeS: Novel phases at conditions of planetary cores

Iron sulfide (FeS) was investigated using first-principles calculations up to a pressure of 400 GPa. A number of new phase transitions were found. An antiferromagnetic MnP-type structure, FeS II, was confirmed to be stable at low pressures, whereas at high pressures (40–135 GPa) we find a new stable phase, with a non-magnetic MnP-type structure, FeS VI. The observed first-order change in the cell shape between the two phases can be explained by the difference in magnetic configurations. The calculated cell parameters, atomic coordinates, and bulk modulus of non-magnetic MnP-type phase are consistent with those determined from experiment. The upper pressure limit of the stability of the non-magnetic MnP-type phase was calculated to be 135 GPa. A hitherto unsuspected phase transition from the non-magnetic MnP-type to a phase with Pmmn symmetry, FeS VII, was identified using the evolutionary crystal structure prediction (USPEX) method. The structure of the Pmmn phase has no known analogues, but can be described as a distortion of the NaCl-type structure. The Pmmn phase with the distorted NaCl-type structure is stable from 135 GPa at least up to 400 GPa. According to previous experiments and the present study, the transition sequence of FeS at low temperatures is as follows: troilite ➔ antiferromagnetic MnP-type phase ➔ monoclinic phase ➔ non-magnetic MnP-type phase ➔ Pmmn phase. The calculated volume reduction from the monoclinic to the non-magnetic MnP-type phase is 1.0% at 40 GPa, which is in good agreement with experimental observations. The calculated volume reduction from the non-magnetic MnP-type to the Pmmn phase is 3.7% at 135 GPa.     

Al–Mg and Pb–Pb systematics of Allende CAIs: Canonical solar initial Al/Al ratio reinstated

The precise knowledge of the initial ²⁶Al/²⁷Al ratio [(²⁶Al/²⁷Al)₀] is crucial if we are to use the very first solid objects formed in our Solar System, calcium–aluminum-rich inclusions (CAIs) as the “time zero” age-anchor and guide future work with other short-lived radio-chronometers in the early Solar System, as well as determining the inventory of heat budgets from radioactivities for early planetary differentiation. New high-precision multi-collector inductively-coupled plasma mass spectrometry (MC-ICP-MS) measurements of ²⁷Al/²⁴Mg ratios and Mg-isotopic compositions of nine whole-rock CAIs (six mineralogically characterized fragments and three micro-drilled inclusions) from the CV carbonaceous chondrite, Allende yield a well-defined ²⁶Al–²⁶Mg fossil isochron with an (²⁶Al/²⁷Al)₀ of (5.23 ± 0.13) × 10^− 5. Internal mineral isochrons obtained for three of these CAIs (A44A, AJEF, and A43) are consistent with the whole-rock CAI isochron. The mineral isochron of AJEF with (²⁶Al/²⁷Al)₀ = (4.96 ± 0.25) × 10^− 5, anchored to our precisely determined absolute ²⁰⁷Pb–²⁰⁶Pb age of 4567.60 ± 0.36 Ma for the same mineral separates, reinstate the “canonical” (²⁶Al/²⁷Al)₀ of 5 × 10^− 5 for the early Solar System. The uncertainty in (²⁶Al/²⁷Al)₀ corresponds to a maximum time span of ± 20 Ka (thousand years), suggesting that the Allende CAI formation events were culminated within this time span. Although all Allende CAIs studied experienced multistage formation history, including melting and evaporation in the solar nebula and post-crystallization alteration likely on the asteroidal parent body, the ²⁶Al–²⁶Mg and U–Pb-isotopic systematics of the mineral separates and bulk CAIs behaved largely as closed-system since their formation. Our data do not support the “supra-canonical” ²⁶Al/²⁷Al ratio of individual minerals or their mixtures in CV CAIs, suggesting that the supra-canonical ²⁶Al/²⁷Al ratio in the CV CAIs may have resulted from post-crystallization inter-mineral redistribution of Mg isotopes within an individual inclusion. This redistribution must be volumetrically minor in order to satisfy the mass balance of the precisely defined bulk CAI and bulk mineral data obtained by MC-ICP-MS.The radiogenic ²⁰⁸Pb/²⁰⁶Pb ratio obtained as a by-product from the Pb–Pb age dating is used to estimate time-integrated ²³²Th/²³⁸U ratio (κ value) of CAIs. Limited κ variations among the minerals within a single CAI, contrasted by much larger variations among the bulk CAIs, suggest Th/U fractionation occurred prior to crystallization of igneous CAIs. If interpreted as primordial heterogeneity, the κ value can be used to calculate the mean age of the interstellar dust from which the CAIs condensed.     

Evaluating ecological quality in the north-eastern Black Sea coastal zone

Anthropogenic pressures have resulted in measurable impacts on the coastal ecosystems of the northern (Sevastopol Bay, Ukraine) and eastern (Batumi aquatoria, Georgia) Black Sea. Indices suggest that major impacts are relatively localized and are comparable to similar situations in the northern Atlantic. In contrast, biodiversity was appreciably lower than from comparable north Atlantic waters. The number of macrobenthic species was typically round 50, less than half the number that might be expected from similar exercises in US or European waters. Site-specific indices likewise indicated a somewhat lower diversity within communities, yielding metrics which would indicate a measure of stress in N. Atlantic situations. Microbial status was generally good, although regions close to urbanisation did not comply with standards laid down in the current EC Bathing Water Directive (76/EC/160). Likewise viruses were more commonly, although not exclusively, associated with urban locations, as were phages. Microbial investigation of the sediments confirmed the presence of heterotrophic and oil-oxidising bacteria. Abundance of the latter was closely correlated to the degree of oil contamination of the sediments, and to temperature, although for both, the results showed that the increase in bacterial abundance did level off beyond a certain point. Numbers of oil-oxidising bacteria in the water column displayed a classical response to temperature, with abundance doubling over a 10-degree C rise in temperature. Overall the results suggest that while indices in current use are useful in evaluating coastal quality in the Black Sea, some adjustments would be necessary especially in the establishment of baseline or reference values.     

Numerical Modelling of the Destructive Meteotsunami of 15 June, 2006 on the Coast of the Balearic Islands

A destructive tsunami-like event (locally known as “rissaga” waves) occurring on 15 June, 2006 in Ciutadella Harbour (Menorca, Balearic Islands) is reproduced by a numerical model forced by a travelling atmospheric disturbance. The disturbance is reconstructed from microbarograph measurements, being the only available instrumental data at the time of the event. The model is verified based on two weaker 1997 events, which were recorded by a number of bottom pressure recorders operating at that time on the Menorca shelf, in Ciutadella Inlet and adjacent Platja Gran Inlet. Both 1997 events are numerically simulated and good agreement is achieved with observations in time, frequency (including eigenfrequencies of the affected inlets) and wave heights. Subsequently the same model is applied to simulate the 2006 event. The vigorous currents with speeds up to 400 cm/s are found to occur specifically at those areas of the harbour where the most severe damage and sinking of boats had been reported. Maximum simulated sea-level heights of 2.5 m were about one half of those reported by eyewitnesses. This difference is apparently caused by quality and spatial resolution of bathymetry data. However, in general, the model is capable of reproducing the event fairly well and can probably be used for future assessment and mitigation activities on the coasts of the Balearic Islands.     

Revisiting ocean thermal energy conversion

Increasing concerns regarding oil spills, air pollution, and climate change associated with fossil fuel use have increased the urgency of the search for renewable, clean sources of energy. This assessment describes the potential of Ocean Thermal Energy Conversion (OTEC) to produce not only clean energy but also potable water, refrigeration, and aquaculture products. Higher oil prices and recent technical advances have improved the economic and technical viability of OTEC, perhaps making this technology more attractive and feasible than in the past. Relatively high capital costs associated with OTEC may require the integration of energy, food, and water production security in small island developing states (SIDSs) to improve cost-effectiveness. Successful implementation of OTEC at scale will require the application of insights and analytical methods from economics, technology, materials engineering, marine ecology, and other disciplines as well as a subsidized demonstration plant to provide operational data at near-commercial scales.     

An assessment of the impact of surface currents on wave modeling in the Southern Ocean

This paper presents an assessment of the impact of the ocean circulation on modeled wave fields in the Southern Ocean, where a systematic positive bias of the modeled wave height against altimetry data has been reported. The inclusion of ocean currents in the wave model considerably reduces the positive bias of the simulated wave height for high southern latitudes. The decrease of wave energy in the presence of currents is almost exclusively related to the reduction of the relative wind, caused by an overall co-flowing current field associated with the Antarctic Circumpolar Current. Improvements of the model results are also found for the peak period and the mean period against a long-term moored buoy. At the mooring location, the effect of currents is greater for larger and longer waves, suggesting remotely generated swells are more influenced by the currents than local waves. However, an additional qualitative analysis using high-resolution currents in a finer grid nested to the global coarser grid shows that typical resolution of global hydrodynamic reanalysis is not sufficient to resolve mesoscale eddies, and as a consequence, the simulation of mesoscale wave patterns can be compromised. The results are also discussed in terms of the accuracy of forcing fields.     

Using geographically weighted regression to explore the spatially heterogeneous spread of bovine tuberculosis in England and Wales

An understanding of the factors that affect the spread of endemic bovine tuberculosis (bTB) is critical for the development of measures to stop and reverse this spread. Analyses of spatial data need to account for the inherent spatial heterogeneity within the data, or else spatial autocorrelation can lead to an overestimate of the significance of variables. This study used three methods of analysis—least-squares linear regression with a spatial autocorrelation term, geographically weighted regression (GWR) and boosted regression tree (BRT) analysis—to identify the factors that influence the spread of endemic bTB at a local level in England and Wales. The linear regression and GWR methods demonstrated the importance of accounting for spatial differences in risk factors for bTB, and showed some consistency in the identification of certain factors related to flooding, disease history and the presence of multiple genotypes of bTB. This is the first attempt to explore the factors associated with the spread of endemic bTB in England and Wales using GWR. This technique improves on least-squares linear regression approaches by identifying regional differences in the factors associated with bTB spread. However, interpretation of these complex regional differences is difficult and the approach does not lend itself to predictive models which are likely to be of more value to policy makers. Methods such as BRT may be more suited to such a task. Here we have demonstrated that GWR and BRT can produce comparable outputs.     

Correcting circulation biases in a lower-resolution global general circulation model with data assimilation

In this study, we aim at developing a new method of bias correction using data assimilation. This method is based on the stochastic forcing of a model to correct bias by directly adding an additional source term into the model equations. This method is presented and tested first with a twin experiment on a fully controlled Lorenz ’96 model. It is then applied to the lower-resolution global circulation NEMO-LIM2 model, with both a twin experiment and a real case experiment. Sea surface height observations are used to create a forcing to correct the poorly located and estimated currents. Validation is then performed throughout the use of other variables such as sea surface temperature and salinity. Results show that the method is able to consistently correct part of the model bias. The bias correction term is presented and is consistent with the limitations of the global circulation model causing bias on the oceanic currents.     

Submesoscale eddies in Peter the Great Bay of the Japan/East Sea in winter

Ocean Dynamics - Cold-core (T < 0 °C) domes of dense water σθ > 27.24 kg/m3 were observed in the near-bottom layer at the...     

Predicting sediment discharges and erosion rates in deep time—examples from the late Cretaceous North American continent

Depositional stratigraphy represents the only physical archive of palaeo-sediment routing and this limits analysis of ancient source-to-sink systems in both space and time. Here, we use palaeo-digital elevation models (palaeoDEMs; based on high-resolution palaeogeographic reconstructions), HadCM3L general circulation model climate data and the BQART suspended sediment discharge model to demonstrate a predictive, forward approach to palaeo-sediment routing system analysis. To exemplify our approach, we use palaeoDEMs and HadCM3L data to predict the configurations, geometries and climates of large continental catchments in the Cenomanian and Turonian North American continent. Then, we use BQART to estimate suspended sediment discharges and catchment-averaged erosion rates and we map their spatial distributions. We validate our estimates with published geologic constraints from the Cenomanian Dunvegan Formation, Alberta, Canada, and the Turonian Ferron Sandstone, Utah, USA, and find that estimates are consistent or within a factor of two to three. We then evaluate the univariate and multivariate sensitivity of our estimates to a range of uncertainty margins on palaeogeographic and palaeoclimatic boundary conditions; large uncertainty margins (≤50%/±5°C) still recover estimates of suspended sediment discharge within an order of magnitude of published constraints. PalaeoDEMs are therefore suitable as a first-order investigative tool in palaeo-sediment routing system analysis and are particularly useful where stratigraphic records are incomplete. We highlight the potential of this approach to predict the global spatio-temporal response of suspended sediment discharges and catchment-averaged erosion rates to long-period tectonic and climatic forcing in the geologic past.