Soil discrimination using diffuse reflectance Vis–NIR spectroscopy in a local toposequence

Vis–NIR spectroscopy is nowadays presented as a possible routine method for soil sample analysis. However, there is still no consensus on which is the best multivariate statistical method to use. We propose to use principal component analysis to complete the spectral data treatment. The soil samples came from a pedological cover made up of red–yellow Latosols: 88 samples of 11 soil profiles on four toposequences were collected; clay, organic matter, silica, iron, aluminum and titanium total contents were determined; the contents of goethite, hematite, gibbsite, and kaolinite were calculated. Diffuse reflectance Vis–NIR spectroscopy at wavelengths from 400 to 2400 nm combined with principal component analysis (PCA) was sufficiently sensitive to discriminate different Latosols. Wavelengths of 700 nm and 2200 to 2300 nm were influenced by content ratios of organic matter and iron oxides (700 nm), and kaolinite and gibbsite absorption (2200 and 2300 nm). The spectral responses were affected not only by the content of these constituents, but also by the composition of the minerals, so that the same class of Latosol may have different or similar spectral responses. The role of microaggregation is discussed.     

Assessment of advective–dispersive contaminant transport in heterogeneous aquifers using a meshless method

Groundwater solute transport phenomena typically occur in water-bearing zones with heterogeneous solute dispersive characteristics and/or media hydraulic properties. A radial basis function collocation method (RBFCM)-based numerical method was developed in order to investigate the ability of RBFCM to accurately portray solute transport phenomena under heterogeneous conditions. Simulations were performed for 1-D and 2-D transport scenarios in which scale-dependent dispersivity fields were taken into consideration and compared with available analytical solutions. Different radial basis functions (RBFs) were employed for assessing the sensitivity of the present method on the selected RBFs. The simulation results were also compared with the results of MT3DMS which is a modular three-dimensional transport model with alternative solution schemes including the method of characteristics, the implicit central finite difference and the third order total variation diminishing finite volume. The proposed model was also used to simulate a real case condition where solute transport through a two-layer soil medium had been investigated experimentally. The results showed that RBFCM represented a powerful tool for predicting the solute transport occurrence under heterogeneous conditions with high accuracy.     

Estimating regional-scale permeability–depth relations in a fractured-rock terrain using groundwater-flow model calibration

The trend of decreasing permeability with depth was estimated in the fractured-rock terrain of the upper Potomac River basin in the eastern USA using model calibration on 200 water-level observations in wells and 12 base-flow observations in subwatersheds. Results indicate that permeability at the 1–10 km scale (for groundwater flowpaths) decreases by several orders of magnitude within the top 100 m of land surface. This depth range represents the transition from the weathered, fractured regolith into unweathered bedrock. This rate of decline is substantially greater than has been observed by previous investigators that have plotted in situ wellbore measurements versus depth. The difference is that regional water levels give information on kilometer-scale connectivity of the regolith and adjacent fracture networks, whereas in situ measurements give information on near-hole fractures and fracture networks. The approach taken was to calibrate model layer-to-layer ratios of hydraulic conductivity (LLKs) for each major rock type. Most rock types gave optimal LLK values of 40–60, where each layer was twice a thick as the one overlying it. Previous estimates of permeability with depth from deeper data showed less of a decline at <300 m than the regional modeling results. There was less certainty in the modeling results deeper than 200 m and for certain rock types where fewer water-level observations were available. The results have implications for improved understanding of watershed-scale groundwater flow and transport, such as for the timing of the migration of pollutants from the water table to streams.     

Validity evaluation of a groundwater dam in Oshipcheon River,eastern Korea using a SWAT–MODFLOW model

It is assumed that the groundwater dam under consideration is located in the lower Oshipcheon River along Yeongdeok-gun County, Gyeongsangbuk-do Province, eastern Korea. In this study, changes in groundwater level and construction effects of the groundwater dam were analyzed using a SWAT–MODFLOW model designed for integration of surface water and groundwater, and validity analysis before and after construction of the groundwater dam was evaluated. There are an average increase of 0.46 m and a maximum increase of 1.16 m, respectively, at the upstream region due to the groundwater dam. Groundwater levels at the upstream region show an average increase of 0.42 m by the groundwater dam when the water quantity of demand (10,080 m³/day) is pumped. The groundwater dam has potential as an alternative for the surface water dam to secure water resources in the study area.     

Delimiting a saline water zone in Quaternary fluvial–alluvial deposits using transient electromagnetic: a case study in Punata,Bolivia

The semiarid Punata alluvial fan is located in the central part of Bolivia. The main activity of this region is the extensive agriculture, and groundwater is the main water supply. Local villagers who use groundwater reported that in some places groundwater has a salty taste. In order to investigate the origin of this problem, several TEM soundings were performed in the study area, and they were complemented with ERT surveys. The results show top layers with resistivity values ranging from 30 to 200 Ωm and a bottom layer with resistivity values ranging from 1 to 20 Ωm, which might be interpreted as the main aquifer and a layer with high clay content, respectively. Between the top and bottom layer, a transition zone with saline water has been identified, with resistivity values ranging from 0.1 to 1 Ωm. The origin of this closed-basin brine might be a product of the evaporation of paleolakes during the lower Pliocene, where saline clays were deposited. This study demonstrated the effectiveness of TEM sounding for mapping very low resistivity zones such as saline water.     

Identification of diffusion parameters in a nonlinear convection–diffusion equation using the augmented Lagrangian method

Numerical identification of diffusion parameters in a nonlinear convection–diffusion equation is studied. This partial differential equation arises as the saturation equation in the fractional flow formulation of the two-phase porous media flow equations. The forward problem is discretized with the finite difference method, and the identification problem is formulated as a constrained minimization problem. We utilize the augmented Lagrangian method and transform the minimization problem into a coupled system of nonlinear algebraic equations, which is solved efficiently with the nonlinear conjugate gradient method. Numerical experiments are presented and discussed. This work was partially supported by the Research Council of Norway (NFR), under grant 128224/431.     

Numerical simulation of flow processes in liquefied soils using a soil–water-coupled smoothed particle hydrodynamics method

Liquefaction can result in the damage or collapse of structures during an earthquake and can therefore be a great threat to life and property. Many site investigations of liquefaction disasters are needed to study the large-scale deformation and flow mechanisms of liquefied soils that can be used for performance assessments and infrastructure improvement. To overcome the disadvantages of traditional flow analysis methods for liquefied soils, a soil–water-coupled smoothed particle hydrodynamics (SPH) modeling method was developed to analyze flow in liquefied soils. In the proposed SPH method, water and soil were simulated as different layers, while permeability, porosity, and interaction forces could be combined to model water-saturated porous media. A simple shear test was simulated using the SPH method with an elastic model to verify its application to solid phase materials. Subsequently, the applicability of the proposed SPH modeling method to the simulation of interaction forces between water and soil was verified by a falling-head permeability test. The coupled SPH method produced good simulations for both the simple shear and falling-head permeability tests. Using a fit-for-purpose experimental apparatus, a physical flow model test of liquefied sand has been designed and conducted. To complement the physical test, a numerical simulation has been undertaken based on the soil–water-coupled SPH method. The numerical results correspond well with the physical model test results in observed configurations and velocity vectors. An embankment failure in northern Sweden was selected so that the application of the soil–water-coupled SPH method could be extended to an actual example of liquefaction. The coupled SPH method simulated the embankment failure with the site investigation well. They have also estimated horizontal displacements and velocities, which can be used to greatly improve the seismic safety of structures.     

Manifestation of nitrogen interstitials in synthetic diamonds obtained using a temperature gradient technique (Fe–Ni–C system)

The IR-peak 1450 cm^–1 (H1a-center) associated with nitrogen interstitials have been studied in nitrogen-bearing diamonds synthesized at high P-T parameters in the Fe–Ni–C system. FTIR study shows that manifestation of this nitrogen form is restricted to the regions of active transformation of C-defects into A-defects, which confirms the connection of its formation with C => A aggregation process. An examination of the dependence of the 1450 cm^–1 peak on the degree of nitrogen aggregation indicates that H1a-centers are not only formed during C/A aggregation but also disappear simultaneously with the end of C => A transformation. Established facts suggest direct involving of nitrogen as interstitials in the C => A aggregation and serve as strong experimental argument in support of the “interstitial” mechanism of nitrogen migration during aggregation in diamonds containing transition metals.     

Aquifer vulnerability assessment using GIS and fuzzy system: a case study in Tehran–Karaj aquifer,Iran

Aquifer vulnerability assessment techniques have been developed to predict which areas are more likely than others to become contaminated as a result of activities at or near the land surface. This research focuses on the evaluation of groundwater vulnerability to pollution in an urban area. Among several assessment methods, DRASTIC has been selected for this study. ArcGIS has been used to overlay and calculate different layers and obtain the vulnerability map. In order to show the importance of fuzzy algorithms in classification, both Boolean and fuzzy algorithms were used and compared. The fuzzy algorithm could recognize the areas with low and negligible vulnerability potentials whereas the Boolean model classified them as moderate. Two sensitivity tests, the map removal sensitivity analyses and single-parameter sensitivity analysis, were performed to show the importance of each parameter in the index calculation.     

Monazite trumps zircon: applying SHRIMP U–Pb geochronology to systematically evaluate emplacement ages of leucocratic,low-temperature granites in a complex Precambrian orogen

Although zircon is the most widely used geochronometer to determine the crystallisation ages of granites, it can be unreliable for low-temperature melts because they may not crystallise new zircon. For leucocratic granites U–Pb zircon dates, therefore, may reflect the ages of the source rocks rather than the igneous crystallisation age. In the Proterozoic Capricorn Orogen of Western Australia, leucocratic granites are associated with several pulses of intracontinental magmatism spanning ~800 million years. In several instances, SHRIMP U–Pb zircon dating of these leucocratic granites either yielded ages that were inconclusive (e.g., multiple concordant ages) or incompatible with other geochronological data. To overcome this we used SHRIMP U–Th–Pb monazite geochronology to obtain igneous crystallisation ages that are consistent with the geological and geochronological framework of the orogen. The U–Th–Pb monazite geochronology has resolved the time interval over which two granitic supersuites were emplaced; a Paleoproterozoic supersuite thought to span ~80 million years was emplaced in less than half that time (1688–1659 Ma) and a small Meso- to Neoproterozoic supersuite considered to have been intruded over ~70 million years was instead assembled over ~130 million years and outlasted associated regional metamorphism by ~100 million years. Both findings have consequences for the duration of associated orogenic events and any estimates for magma generation rates. The monazite geochronology has contributed to a more reliable tectonic history for a complex, long-lived orogen. Our results emphasise the benefit of monazite as a geochronometer for leucocratic granites derived by low-temperature crustal melting and are relevant to other orogens worldwide.     

Delineation of recharge patterns and contaminant transport using 3H–3He in a shallow aquifer contaminated by chlorinated solvents in South Korea

Stable isotopes of water and ³H–³He were used to delineate recharge patterns and contaminant transport for a granitic regolith aquifer in an industrial complex in Wonju, South Korea, that has historically been contaminated with chlorinated solvents including trichloroethene (TCE) and carbon tetrachloride (CT). Groundwater recharge mainly occurred in upgradient forested areas while little recharge occurred in the downgradient industrial areas covered with extensive sections of impermeable pavement and paddy fields. δ¹⁸O and δD data indicated that groundwater was mainly derived from summer precipitation. The apparent groundwater ages using ³H–³He ranged from 1 to 4 yrs in the upgradient area and from 9 to 10 yrs in the downgradient area. Comparison of groundwater flow velocities based on Darcy’s law and those calculated with simple mass balance models and groundwater age supported the presence of preferential pathways for TCE movement in the study area. Measureable TCE was observed in groundwater irrespective of groundwater age. Considering the 3-yr duration of the TCE spill, 14 yrs before sampling, this indicates that TCE plumes were continuously fed from sources in the unsaturated zone after the spill ended and moved downgradient without significant degradation in the aquifer.     

Deciphering a multistage history affecting U–Cu(–Fe) mineralization in the Singhbhum Shear Zone,eastern India,using pyrite textures and compositions in the Turamdih U–Cu(–Fe) deposit

The ～200-km-long intensely deformed Singhbhum Shear Zone (SSZ) in eastern India hosts India’s largest U and Cu deposits and related Fe mineralization. The SSZ separates an Archaean cratonic nucleus to the south from a Mesoproterozoic fold belt in the North and has a complex geologic history that obscures the origin of the contained iron-oxide-rich mineral deposits. This study investigates aspects of the history of mineralization in the SSZ by utilizing new petrographic and electron microprobe observations of pyrite textures and zoning in the Turamdih U–Cu(–Fe) deposit. Mineralization at Turamdih is hosted in intensively deformed quartz–chlorite schist. Sulfides and oxides include, in inferred order of development: (a) magmatic Fe(–Ti–Cr) oxide and Fe–Cu(–Ni) sulfide minerals inferred to be magmatic (?) in origin; followed by (b) uranium, Fe-oxide, and Fe–Cu(–Co) sulfide minerals that predate most or all ductile deformation, and are inferred to be of hydrothermal origin; and (c) Fe–Cu sulfides that were generated during and postdating ductile deformation. These features are associated with the formation of three compositionally and texturally distinct pyrites. Pyrite (type-A), typically in globular–semiglobular composite inclusions of pyrite plus chalcopyrite in magnetite, is characterized by very high Ni content (up to 30,700 ppm) and low Co to Ni ratios (0.01–0.61). The textural and compositional characteristics of associated chalcopyrite and rare pyrrhotite suggest that this pyrite could be linked to the magmatic event via selective replacement of magmatic pyrrhotite. Alternatively, this pyrite and associated sulfide inclusions might be cogenetic with hydrothermal Fe-oxide. Type-B pyrite that forms elongate grains and irregular relics and cores of pyrite with high Co contents (up to 23,630 ppm) and high Co to Ni ratios (7.2–140.9) are interpreted to be related to hydrothermal mineralization predating ductile deformation. A third generation of pyrite (type C) with low Co, low Ni, and moderate Co to Ni ratios (0.19–13.93) formed during and postdating the ductile deformation stage overgrowing, replacing, and surrounding type-B pyrite. The textural evolution of pyrite parallels the tectonometamorphic evolution of the shear zone demonstrating grain elongation during progressive ductile deformation and prograde metamorphism, annealing at the peak metamorphic condition, porphyroblastic growth at the retrograde path and cataclasis following porphyroblastic growth. Compositional characteristics of hydrothermal pyrite and available geological information suggest that the U–Cu(–Fe) deposit at Turamdih might be a variant of the Fe oxide (–Cu–U–rare earth elements) family of deposits.     

Quantifying the impact of small variations in fracture geometric characteristics on peak rock mass properties at a mining project using a coupled DFN–DEM approach

Using field data from Agnico-Eagle’s Meliadine gold project located in Nunavut Territory in northern Canada, a coupled DFN–DEM approach was used to evaluate the rock mass mechanical properties at REV. Variability in the structural data gathered on site and the variability associated with the stochastic modeling process have an impact on discrete fracture model (DFN) properties. Through a sensitivity analysis, this paper assesses the influence of a variation in the DFN model input parameters’ values on the rock mass peak properties – uniaxial compressive strength, Young modulus and Poisson ratio. The results not only highlight the possibilities associated with DFN–DEM modeling in characterizing rock mass properties at the engineering scale, they also provide a systematic way to assess the critical structural parameters controlling the rock mass properties.     

Exploring the extent to which fluctuations in ice-rafted debris reflect mass changes in the source ice sheet: a model–observation comparison using the last British–Irish Ice Sheet

The British and Irish Ice Sheet (BIIS) was highly dynamic during the Late Quaternary, with considerable regional differences in the timing and extent of its change. This was reflected in equally variable offshore ice-rafted debris (IRD) records. Here we reconcile these two records using the FRUGAL intermediate complexity iceberg–climate model, with varying BIIS catchment-level iceberg fluxes, to simulate change in IRD origin and magnitude along the western European margin at 1000-year time steps during the height of the last BIIS glaciation (31–6 ka bp ). This modelled IRD variability is compared with existing IRD records from the deep ocean at five cores along this margin. There is general agreement of the temporal and spatial IRD variability between observations and model through this period. The Porcupine Bank off northwestern Ireland was confirmed by the modelling as a major dividing line between sites possessing exclusively northern or southern source regions for offshore IRD. During Heinrich events 1 and 2, the cores show evidence of a proportion of North American IRD, more particularly to the south of the British Isles. Modelling supports this southern bias for likely Heinrich impact, but also suggests North American IRD will only reach the British margin in unusual circumstances.     

Apatite-hosted melt inclusions from the Panzhihua gabbroic-layered intrusion associated with a giant Fe–Ti oxide deposit in SW China: insights for magma unmixing within a crystal mush

The ～?2-km-thick Panzhihua gabbroic-layered intrusion in SW China is unusual because it hosts a giant Fe–Ti oxide deposit in its lower zone. The deposit consists of laterally extensive net-textured and massive Fe–Ti oxide ore layers, the thickest of which is ～?60 m. To examine the magmatic processes that resulted in the Fe enrichment of parental high-Ti basaltic magma and the formation of thick, Fe–Ti oxide ore layers, we carried out a detailed study of melt inclusions in apatite from a ～?500-m-thick profile of apatite-bearing leucogabbro in the middle zone of the intrusion. The apatite-hosted melt inclusions are light to dark brown in color and appear as polygonal, rounded, oval and negative crystal shapes, which range from ～?5 to ～?50 µm in width and from ～?5 to ～?100 µm in length. They have highly variable compositions and show a large and continuous range of SiO₂ and FeO_t with contrasting end-members; one end-member being Fe-rich and Si-poor (40.2 wt% FeO_t and 17.7 wt% SiO₂) and the other being Si-rich and Fe-poor (74.0 wt% SiO₂ and 1.20 wt% FeO_t). This range in composition may be attributed to entrapment of the melt inclusions over a range of temperature and may reflect the presence of µm-scale and immiscible Fe-rich and Si-rich components in different proportions. Simulating results for the motion of Si-rich droplets within a crystal mush indicate that Si-rich droplets would be separated from Fe-rich melt and migrate upward due to density differences in the interstitial liquid when the magma unmixed. Migration of the Si-rich, immiscible liquid component from the interstitial liquid caused the remaining Fe-rich melt in the lower part to react with plagioclase primocrysts (An_59–60), as evidenced by fine-grained lamellar intergrowth of An-rich plagioclase (An_79–84)?+?clinopyroxene in the oxide gabbro of the lower zone. Therefore, magma unmixing within a crystal mush, combined with gravitationally driven loss of the Si-rich component, resulted in the formation of Fe-rich, melagabbro and major Fe–Ti oxide ores in the lower part and Si-rich, leucogabbro in the upper part of the intrusion.     

New calibration data for the Fe–Ti oxide thermo-oxybarometers from experiments in the Fe–Ti–O system at 1 bar, 1,000–1,300°C and a large range of oxygen fugacities

The current formulations of the Fe–Ti oxide thermobarometer (titanomagnetite–ilmenite_ss) fail to reproduce experimental results, in particular at the high temperatures that are relevant for basaltic assemblages. With the aim of improving the experimental basis of the calibration in the Fe–Ti–O system, we have synthesised assemblages of titanomagnetite–ilmenite_ss (Tmt–Ilm_ss), ilmenite_ss–pseudobrookite_ss (Ilm_ss–Psb_ss) and single-phase samples under a wide range of fO₂ (fixed with CO/CO₂ mixtures or by solid oxygen buffers) in sub-solidus conditions (1,000–1,300°C) at 1 bar. Runs lasted 24 h at 1,300°C and up to 240 h at 1,000°C and were terminated by quenching in water. All run products are polycrystalline, roughly equigranular aggregates, with grain sizes of 10–50 m. They were examined and analysed with the SEM and EMP. Tmt compositions are broadly in accordance with the current models at moderate fO₂, but significantly richer in Ti at low fO₂ and high T, due to cationic vacancies. Ilm_ss compositions depart from the predicted values practically at all fO₂ and T conditions, which is related to unsatisfactory thermodynamic models for the rhombohedral oxide. For Ilm_ss–Psb_ss assemblages the best agreement between our data and current calculations is at 1,000°C and moderately high fO₂. Otherwise, experimental and calculated data strongly disagree. The experimental data set on the three Fe–Ti oxide solid solutions presented here is intended to support new versions of both the titanomagnetite–ilmenite_ss thermo-oxybarometer and the ilmenite_ss–pseudobrookite_ss oxybarometer.