Thermochemistry of strontium incorporation in aragonite from atomistic simulations

We have investigated the thermodynamics of mixing between aragonite (orthorhombic CaCO₃) and strontianite (SrCO₃). In agreement with experiment, our simulations predict that there is a miscibility gap between the two solids at ambient conditions. All Sr_xCa_1−xCO₃ solids with compositions 0.12 < x < 0.87 are metastable with respect to separation into a Ca-rich and a Sr-rich phase. The concentration of Sr in coral aragonites (x ∼ 0.01) lies in the miscibility region of the phase diagram, and therefore formation of separated Sr-rich phases in coral aragonites is not thermodynamically favorable. The miscibility gap disappears at around 380 K. The enthalpy of mixing, which is positive and nearly symmetric with respect to x = 0.5, is the dominant contribution to the excess free energy, while the vibrational and configurational entropic contributions are small and of opposite sign. We provide a detailed comparison of our simulation results with available experimental data.     

Parallelization of a regionalization heuristic in distributed computing platforms – a case study of parallel-p-compact-regions problem

In this paper, we report efforts to develop a parallel implementation of the p-compact regionalization problem suitable for multi-core desktop and high-performance computing environments. Regionalization for data aggregation is a key component of many spatial analytical workflows that are known to be NP-Hard. We utilize a low communication cost parallel implementation technique that provides a benchmark for more complex implementations of this algorithm. Both the initialization phase, utilizing a Memory-based Randomized Greedy and Edge Reassignment (MERGE) algorithm, and the local search phase, utilizing Simulated Annealing, are distributed over available compute cores. Our results suggest that the proposed parallelization strategy is capable of solving the compactness-driven regionalization problem both efficiently and effectively. We expect this work to advance CyberGIS research by extending its application areas into the regionalization world and to make a contribution to the spatial analysis community by proposing this parallelization strategy to solve large regionalization problems efficiently.     

Magma intrusion as a driving mechanism for the seismic clustering following the 9 May 1989 earthquake swarms at the Canary Islands

On 9 May 1989 a M _L = 5.2 earthquake struck a region between the islands of Tenerife and Gran Canaria. We investigated the time-spatial evolution of seismic patterns affecting the Canary Islands region during 1989–1995, using a quantitative spatial fractal analysis method. This method allows quantitative investigation of subtle trends in seismicity distribution through time. The fractal analysis indicates that epicenters clustered around a large zone during the May 1989 sequence affected narrow zones during 1991–1993, but then larger zones during 1993–1995 with an overall trend to shallower focal depths. The spatial localisation of seismic data and its time evolution appear to be related to magmatic rather than tectonic activity. Spatial clustering properties of seismicity are consistent with a major intrusive episode in 1989, followed by a period of quiescence and renewed deep intrusive activity from 1993 onwards. This interpretation suggests an increasing probability of future volcanic hazard in the region investigated.     

High spatial resolution sampling of metals in the sediment and water column in Port Jefferson Harbor, New York

Eighteen sediment samples and six water-column samples were collected in a small (6 km²), coastal embayment (Port Jefferson Harbor, New York) to define a high-resolution spatial distribution of metals and to elucidate sources of contaminants to the harbor. Sediment metal (Ag, Cu, Fe, Ni, Pb, V, and Zn) concentrations varied widely, reflecting differences in sediment grain size, with higher metal concentrations located in the fine-grained inner harbor sediments. Calculated enrichment factors for these sediments show that Ag, Pb, Cu, and Zn are elevated relative to both crustal abundances and their respective abundances in sediments in central Long Island Sound. Metal concentrations were 1.2 to 10 fold greater in water from the inner harbor compared to water from Long Island Sound collected outside the mouth of the harbor. Spatial variations in trace metals in surface waters within the bay parallel the spatial variations of trace metals in sediments within the harbor. Elevated water-column metal concentrations appear to be partially derived from a combination of diagenetic remobilization from contaminated sediments (e.g., Ag) and anthropogenic sources (e.g., Cu and Zn) within the southern portions of the harbor. Although the National Status and Trends Program had reported previously that sediment metal concentrations in Port Jefferson Harbor were low, the results of this study show sediment metals have high spatial variability and are enriched in the inner harbor sediments at levels comparable to more urbanized western north shore Long Island harbors.     

Analysis of groundwater mining in two carbonate aquifers in Sierra de Estepa (SE Spain) based on hydrodynamic and hydrochemical data

The carbonate aquifers of Lora and Mingo form part of the hydrogeological unit of Sierra de Estepa (SE Spain). By means of time series analysis and a 1D numerical groundwater model, groundwater exploitation was quantified and the mean annual recharge in both systems was estimated (2001–2004). During this period, the Lora and Mingo aquifers received an average groundwater recharge of 0.29 × 10⁶ m³/year and 0.14 × 10⁶ m³/year, respectively, whereas an average of 0.34 × 10⁶ m³/year and 0.21 × 10⁶ m³/year, respectively, was extracted. These conditions led to a conspicuous lowering of the water table in both systems. In addition, the analysis of the evolution of the main hydrogeochemical parameters of the groundwater showed that the increased pumping rates produced an increase in total dissolved solids, and chloride and sodium ions in both aquifers. In the case of the Lora aquifer, the only ion that presented decreased levels was nitrate. The results show that groundwater pumping in both aquifers should not exceed the mean annual recharge of 0.29 × 10⁶ m³/year and 0.14 × 10⁶ m³/year in the Lora and Mingo aquifers, respectively. Nevertheless, it would be advisable to reduce pumping rates to below these values in order to restore piezometric levels and improve groundwater quality for different uses in the future.