Stream nitrate uptake and transient storage over a gradient of geomorphic complexity,north‐central Colorado,USA

The understanding of nutrient uptake in streams is impeded by a limited understanding of how geomorphic setting and flow regime interact with biogeochemical processing. This study investigated these interactions as they relate to transient storage and nitrate uptake in small agricultural and urban streams. Sites were selected across a gradient of channel conditions and management modifications and included three 180‐m long geomorphically distinct reaches on each of two streams in north‐central Colorado. The agricultural stream has been subject to historically variable cattle‐grazing practices, and the urban stream exhibits various levels of stabilisation and planform alteration. Reach‐scale geomorphic complexity was characterised using highly detailed surveys of channel morphology, substrate, hydraulics and habitat units. Breakthrough‐curve modelling of conservative bromide (Br^?) and nonconservative nitrate (NO₃^?) tracer injections characterised transient storage and nitrate uptake along each reach. Longitudinal roughness and flow depth were positively associated with transient storage, which was related to nitrate uptake, thus underscoring the importance of geomorphic influences on stream biogeochemical processes. In addition, changes in geomorphic characteristics due to temporal discharge variation led to complex responses in nitrate uptake. Copyright © 2011 John Wiley & Sons, Ltd.     

Ab initio study of MgSiO3 C2/c enstatite

We have used a newly developed ab initio constant-pressure molecular dynamics with variable cell shape technique to investigate the zero temperature behaviour of high pressure clinoenstatite (MgSiO₃-C2/c) from 0 up to 30 GPa. The optimum structure at 8 GPa, as well as structural trends under pressure, compare very well with experimental data. At this pressure, we find noticeable “fluctuations” in the chain configuration which suggests the structure is on the verge of a mechanical instability. Two distinct compressive behaviours then appear: one below and another above 8 GPa. This phenomenon may be related to the observed transition to a lower symmetry P2₁/c phase which involves a reconfiguration of the silicate chains, and suggests that the C2/c structure at low pressures found here, may be an artifact of the dynamical algorithm which preserves space group in the absence of symmetry breaking fluctuations. Comparison with calculations in other magnesium silicate phases, indicates that the size and shape of the silicate units (isolated and/or linked tetrahedra and octahedra) are generally well described by the local density approximation; however, the weaker linkages provided by the O-Mg-O bonds, are not as well described. This trend suggests that, as in the recently studied case of H₂O-ice, the structural properties of more inhomogeneous systems, like enstatite, may be improved by using gradientcorrected density functionals.     

Last interglacial sea levels on the south coast of New South Wales

Remnants of the Last Interglacial shoreline occur at Middle Lagoon on the far south coast of New South Wales. Relict beach sediments can be traced to a height of at least +4.8 m and are indicative of a former mean sea level of about +3 m. Thermoluminescence (TL) ages of 126 ± 13 ka and 114 ± 15 ka were determined for beach and aeolian facies respectively. Sands in the lower part of an exposure on the adjacent Gillards Beach gave TL ages of 108 ± 13 ka, but sands in the upper part of that exposure gave an age of 19.9 ± 3.5 ka. This chronological evidence of a stratigraphic unconformity in what was initially taken as pedogenic differentiation at Gillards Beach is supported by contrasting electron traps and colour centres in crystal lattices of quartz grains in these two samples. No tectonic displacement is apparent. This site provides the first evidence of the Last Interglacial sea level for 1000 km along the coast between Gippsland and Newcastle.     

Small-scale heterogeneity and soil-moisture variability in the unsaturated zone

The distribution of water within a soil profile can only be partly explained by the time distribution and rate of surface-water input. Observed differences in soil moisture within the unsaturated zone result from the interaction of surface-water inputs with spatially inhomogeneous soil characteristics. Water which initially percolates vertically is differentially impeded as a result of subtle textural changes in the soil, and is then preferentially retained in such zones of transition, causing large differences in soil-water content to occur. The scale of this vertical variability is of tenths of metres, whilst lateral variability of soil moisture reflects textural changes over a few metres. The observed influence of small-scale heterogeneity on soil-water content suggests that the conventional assumptions of isotropicity and homogeneity of the textural and hydraulic properties of porous media used in drainage basin and hillslope hydrological models need scrutiny, even for single stratigraphic units.     

Computer simulations of the structural and physical properties of the olivine and spinel polymorphs of Mg2SiO4

The aim of the work presented is to develop a computer simulation technique which will predict the structure and physical properties of forsterite and ringwoodite, the major mantle-forming polymorphs of Mg₂SiO₄. The technique is based upon energy minimization, in which all structural parameters are varied until the configuration with the lowest energy is achieved. The lattice energy and physical properties (e.g. elasticity and dielectric constants) are calculated from interatomic potentials, which generally include electrostatic and short-range terms. We investigate several types of traditional potential models, and present a new type of model which includes partial ionic charges and a Morse potential to describe the effect of covalency on the Si-O bond. This new form of potential model is highly successful, and not only reproduces the zero-pressure structural, elastic and dielectric properties of forsterite and ringwoodite, but also accurately describes their pressure dependence.     

Tectonic collision processes after plate rupture

Rupture of a continental plate subducted below a forearc produces a fold and thrust mountain belt with fast overthrusting of nappes. Post-rupture plate unflexing leading to reflexure provides a mechanism for foreland basin formation. Application to the Australia-Banda Arc collision accounts for the origin of the Timor Trough, its imbrication and contemporaneous extension in outer arc, as well as reversal of subduction direction after the emplacement of nappes.     

The lattice dynamics and thermodynamics of the Mg2SiO4 polymorphs

We use an approach based upon the Born model of solids, in which potential functions represent the interactions between atoms in a structure, to calculate the phonon dispersion of forsterite and the lattice dynamical behaviour of the beta-phase and spinel polymorphs of Mg₂SiO₄. The potential used (THB1) was derived largely empirically using data from simple binary oxides, and has previously been successfully used to model the infrared and Raman behaviour of forsterite. It includes ‘bond bending’ terms, that model the directionality of the Si-O bond, in addition to the pair-wise additive Coulombic and short range terms. The phonon dispersion relationships of the Mg₂SiO₄ polymorphs predicted by THB1 were used to calculate the heat capacities, entropies, thermal expansion coefficients and Gruneisen parameters of these phases. The predicted heat capacities and entropies are in outstandingly good agreement with those determined experimentally. The predicted thermodynamic data of these phases were used to construct a phase diagram for this system, which has Clausius-Clapeyron slopes in very close agreement with those found by experiment, but which has predicted transformation pressures that show less close agreement with those inferred from experiment. The overall success, however, that we have in predicting the lattice dynamical and thermodynamic properties of the Mg₂SiO₄ polymorphs shows that our potential THB1 represents a significant step towards finding the elusive quantitative link between the microscopic or atomistic behaviour of minerals and their macroscopic properties.     

A study of intergranular and fissure permeability in Chalk and Permian aquifers,using double-packer injection testing

Double-packer injection tests have been carried out in a borehole in the Chalk of Hampshire and a borehole in the Permian Penrith Sandstone of Cumbria, England. The tests have been supplemented by borehole logging and television inspections and by laboratory measurements on cores. A new mathematical treatment has enabled results to be calculated for injection test intervals containing fissures. In both formations, transmissivity immediately around the borehole is dominated by a few major fissures. In the Penrith Sandstone there is good agreement between intergranular hydraulic conductivity measurements and packer-test results in the portions of the borehole which do not contain major fissures. In the Chalk, the packer-test values are always higher than the intergranular measurements, suggesting that some degree of fissuring is present throughout.