Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite

Orthorhombic MgSiO₃ perovskite is thought to be the most abundant mineral in the mantle of the Earth. Its bulk properties have been widely studied, but many geophysical and rheological processes are also likely to depend upon its surface and grain boundary properties. As a first step towards modelling these geophysical properties, we present here an investigation of the structures and energetics of the surfaces of MgSiO₃-perovskite, employing both shell-model atomistic effective-potential simulations, and density-functional-theory (DFT) calculations. Our shell-model calculations predict the {001} surfaces to be the energetically most stable surfaces: the calculated value of the surface energy being 2.2 J/m² for the MgO-terminated surface, which is favoured over the SiO₂-terminated surface (2.7 J/m²). Also for the polar surfaces {111}, {101} and {011} the MgO-terminated surfaces are energetically more stable than the Si-terminated surfaces. In addition we report the predicted morphology of the MgSiO₃ perovskite structure, which is dominated by the energetically most stable {001} and {110} surfaces, and which appears to agree well with the shape of grown single crystals.     

Potential Impacts of Climate Change on Fire Regimes in the Tropics Based on Magicc and a GISS GCM-Derived Lightning Model

Investigations of the ecological, atmospheric chemical, and climatic impacts of contemporary fires in tropical vegetation have received increasing attention during the last 10 years. Little is known, however, about the impacts of climate changes on tropical vegetation and wildland fires. This paper summarizes the main known interactions of fire, vegetation, and atmosphere. Examples of predictive models on the impacts of climate change on the boreal and temperate zones are given in order to highlight the possible impacts on the tropical forest and savanna biomes and to demonstrate parameters that need to be involved in this process. Response of tropical vegetation to fire is characterized by degradation towards xerophytic and pyrophytic plant communities dominated by grasses and fire-tolerant tree and bush invaders. The potential impacts of climate change on tropical fire regimes are investigated using a GISS GCM-based lightning and fire model and the Model for the Assessment of Greenhouse Gas-Induced Climate Change (MAGICC).     

Lattice dynamics and inelastic neutron scattering from forsterite,Mg2SiO4: Phonon dispersion relation,density of states and specific heat

Magnesium-rich olivine (Mg_0.9Fe_0.1)₂SiO₄ is considered to be a major constituent of the Earth's upper mantle. Because of its major geophysical importance, the temperature and pressure dependence of its crystal structure, elastic and dielectric constants, long-wavelength phonon modes and specific heat have been measured using a variety of experimental techniques. Theoretical study of lattice dynamics provides a means of analyzing and understanding a host of such experimental data in a unified manner. A detailed study of the lattice dynamics of forsterite, Mg₂SiO₄, has been made using a crystal potential function consisting of Coulombic and short-range terms. Quasiharmonic lattice dynamical calculations based on a rigid molecular-ion model have provided theoretical estimates of elastic constants, long-wavelength modes, phonon dispersion relation for external modes along the three high symmetry directions in the Brillouin zone, total and partial density of states and inelastic neutron scattering cross-sections. The neutron cross-sections were used as guides for the coherent inelastic neutron scattering experiment on a large single crystal using a triple axis spectrometer in the constant Q mode. The observed and predicted phonon dispersion relation show excellent agreement. The inelastically scattered neutron spectra from a powder sample have been analyzed on the basis of a phonon density of states calculated from a rigid-ion model, which includes both external and internal modes. The experimental data from a powder sample show good agreement with the calculated spectra, which include a multiphonon contribution in the incoherent approximation. The computed phonon densities of states are used to calculate the specific heat as a function of temperature using both the rigid molecular-ion and rigid ion models. These results are in very good agreement with the calorimetric measurement of the specific heat. The interatomic potential developed here can be used with some confidence to study physical properties of forsterite as a function of pressure and temperature.     

The Christmas Mountains caldera complex,Trans-Pecos Texas

The Christmas Mountains caldera complex developed approximately 42 Ma ago over an elliptical (8×5 km) laccolithic dome that formed during emplacement of the caldera magma body. Rocks of the caldera complex consist of tuffs, lavas, and volcaniclastic deposits, divided into five sequences. Three of the sequences contain major ash-flow tuffs whose eruption led to collapse of four calderas, all 1–1.5 km in diameter, over the dome. The oldest caldera-related rocks are sparsely porphyritic, rhyolitic, air-fall and ash-flow tuffs that record formation and collapse of a Plinian-type eruption column. Eruption of these tuffs induced collapse of a wedge along the western margin of the dome. A second, more abundantly porphyritic tuff led to collapse of a second caldera that partly overlapped the first. The last major eruptions were abundantly porphyritic, peralkaline quartz-trachyte ash-flow tuffs that ponded within two calderas over the crest of the dome. The tuffs are interbedded with coarse breccias that resulted from failure of the caldera walls. The Christmas Mountains caldera complex and two similar structures in Trans-Pecos Texas constitute a newly recognized caldera type, here termed a laccocaldera. They differ from more conventional calderas by having developed over thin laccolithic magma chambers rather than more deep-seated bodies, by their extreme precaldera doming and by their small size. However, they are similar to other calderas in having initial Plinian-type air-fall eruption followed by column collapse and ash-flow generation, multiple cycles of eruption, contemporaneous eruption and collapse, apparent pistonlike subsidence of the calderas, and compositional zoning within the magma chamber. Laccocalderas could occur else-where, particularly in alkalic magma belts in areas of undeformed sedimentary rocks.     

Particulate iron and manganese in the Santa Barbara Basin,California

Particulate Fe and Mn may be important trace metal scavengers in the water column as well as being probable indicators of biologically mediated redox processes. A study has been made of suspended particulate composition in the Santa Barbara Basin, a shallow near-shore basin off southern California with sub-oxic conditions below sill depth. Observations have revealed several interesting phenomena relating to the geochemistry of Fe and Mn. Most striking is a profound enrichment of particulate Fe in samples from the bottom two hundred meters. These particulates have a constant Fe/P mole ratio of about three and may originate at the sediment-water interface or may be transported to the basin from local marshes. For particulate Mn, enrichments are observed both in the sub-sill waters and near the base of the euphotic zone. A consideration of particle removal rates suggests that the sub-photic zone enrichment has a biogenic origin. In the sub-sill waters, enrichment in Mn is apparently due to the precipitation of dissolved Mn diffusing from the anoxic basin sediments. A simple mass balance suggests that most of the Mn lost from the sediments is transported from the Santa Barbara Basin in dissolved form.     

Geochemistry of phonolites and trachytes from the summit region of Mt. Kenya

Two suites of felsic eruptives and intrusives are represented in a set of samples from the summit region of the Plio-Pleistocene volcano, Mt. Kenya. Most of the samples are moderately or strongly undersaturated and have ⁸⁷Sr/⁸⁶Sr initial ratios in the range 0.70360–0.70368 (mean=0.70362). Members of this phonolitic suite are phonolites, nepheline syenites or kenytes and as a group they show a wide variation in TiO₂, FeO, P₂O₅, Sr, Ba, Zr and Nb. The minor and trace element geochemistry reflect variation in the nature of the parental basaltic magmas from which the phonolitic rocks evolved and variation in the crystal fractionation process in individual cases. Crystal fractionation involving plagioclase, alkali feldspar, clinopyroxene, olivine and magnetite is the process by which most of the phonolitic rocks evolved and variation in the relative proportions of these phases in individual cases has led to a broad spectrum of trace and minor element behaviour. The second suite of felsic samples is critically saturated and consists of trachytes showing either slight oversaturation or slight undersaturation with respect to SiO₂. This trachyte suite has lower initial ⁸⁷Sr/⁸⁶Sr ratios (mean=0.70355) and is derived from transitional alkalic basalts by low pressure (crustal) crystal fractionation involving feldspar, clinopyroxene, magnetite and olivine. The range in minor and trace element chemistry observed among the felsic rocks is a consequence of variation in the parental basalts which is related to mantle source variation and to the specific nature of the crystal fractionation process.     

A mechanism for pyroxene-pyroxenoid and pyroxenoid-pyroxenoid transformations

A mechanism for the solid state replacement of clinopyroxene by pyroxenoids has been derived from consideration of the crystal structures. The mechanism involves the propagation of partial dislocations, with Burgers vectors of 1/4 \([2\bar 3\bar 1]\) , through the clinopyroxene matrix to generate a resultant shear; the passage of one dislocation gives rise to a single chain-repeat unit of wollastonite in each silicate chain. Pyroxenoids may thus be formed from clinopyroxene by the periodic introduction of these dislocations on parallel slip-planes, and pyroxenoid to pyroxenoid inversions may proceed by the introduction and removal of such shears by the propagation of the correct combination of partial dislocations. The Burgers vectors for these dislocations in each of the pyroxenoid mineral structures has been calculated. A two step mechanism is proposed for clinopyroxene to bustamite, and pyroxenoid to bustamite inversions, which utilises the same shear as above which generates a wollastonite structure. The second step is a shear of 1/2[001] on the plane \((1\bar 10)\) of this wollastonite intermediate, to give a bustamite structure.     

Anisotropic optical scattering within Saturn's rings

Visual photometric function data for Saturn's rings are analyzed in terms of elementary anisotropic scattering radiative transfer models which involve the Henyey-Greenstein function. Limits are placed on the combinations of single scattering albedo and backscattering directivity which are permitted by observation. Particles with both microscopic and macrscopic lunar-like scattering properties are excluded by the analysis. Results are consistent with the ring particles being nearly pure spherical conglomerates of H₂O frost.