Atomic structures and energies of grain boundaries in Mg2SiO4 forsterite from atomistic modeling     

Omar Adjaoud  Katharina Marquardt  Sandro Jahn 《Physics and Chemistry of Minerals》2012,39(9):749-760

Grain boundaries influence many physical and chemical properties of crystalline materials. Here, we perform molecular dynamics simulations to study the structure of a series of [100] symmetric tilt grain boundaries in Mg₂SiO₄ forsterite. The present results show that grain boundary energies depend significantly on misorientation angle. For small misorientation angles (up to 22°), grain boundary structures consist of an array of partial edge dislocations with Burgers vector $\frac{1}{2}[001]$ associated with stacking faults and their energies can be readily fit with a model which adds the Peach-Koehler equation to the Read-Shockley dislocation model for grain boundaries. The core radius of partial dislocations and the spacing between the partials derived from grain boundary energies show that the transition from low- to high-angle grain boundaries occurs for a misorientation angle between 22° and 32°. For high misorientation angles (32.1° and 60.8°), the cores of dislocations overlap and form repeated structural units. Finally, we use a low energy atomic configuration obtained by molecular dynamics for the misorientation of 12.18° as input to simulate a high-resolution transmission electron microscopy (HRTEM) image. The simulated image is in good agreement with an observed HRTEM image, which indicates the power of the present approach to predict realistic atomic structures of grain boundaries in complex silicates.  相似文献   

Seismic response of L��Aquila downtown from comparison between 2D synthetics spectral ratios of SH, P-SV and Rayleigh waves and observations of the 2009 earthquake sequence     

Paola Bordoni  John Haines  Giuliano Milana  Sandro Marcucci  Fabrizio Cara  Giuseppe Di Giulio 《Bulletin of Earthquake Engineering》2011,9(3):761-781

This is the first part of a study on the seismic response of the L’Aquila city using 2D simulation and experimental data. We have studied two velocity-depth models with the aim of outlining the behavior of a velocity reversal in the top layer, which is associated with the stiff Brecce de L’Aquila unit (BrA). In this setting, the SMTH model is topped by a layer with about 2:1 impedance contrast with the underlying layer while the NORV model has no velocity reversal. We have simulated the propagation of SH and P-SV wavefields in the range 0–10 Hz for incidence 0°–90°. Earthquake spectral ratios of the horizontal and vertical components at six sites in L’Aquila downtown are compared to corresponding synthetics spectral ratios. The vertical component of P-SV synthetics enables us to investigate a remarkable amplification effect seen in the vertical component of the recorded strong motion. Sites AQ04 and AQ05 are best matched by synthetics from the NORV model while FAQ5 and AQ06 have a better match with synthetics spectral ratios from the SMTH model. All simulations show this behavior systematically, with horizontal and near-horizontal incident waves predicting the overall pattern of matches more clearly than vertical and near-vertical incidence. The model inferences are in agreement with new geological data reporting lateral passages in the top layer from the stiff BrA to softer sediments. Matches are good in terms of frequency of the first amplification peak and of spectral amplitude: the horizontal components have spectral ratio peaks predominantly at 0.5 Hz in the simulations and at 0.7 Hz in the data, both with amplitudes of 4, while the vertical component spectral ratios reach values of 6 at frequencies of about 1 Hz in both data and simulations. The vertical component spectral ratios are very well matched using Rayleigh waves with incidence at 90°. The NORV model without the velocity reversal predicts spectral ratio peaks for the horizontal components at frequencies up to 6 Hz. The reversal of velocity acts as a low-pass frequency filter on the horizontal components reducing the amplification effect of the sediment filled valley.  相似文献   

Sr-Nd-Pb isotopes from the Radicofani Volcano, Central Italy: constraints on heterogeneities in a veined mantle responsible for the shift from ultrapotassic shoshonite to basaltic andesite magmas in a post-collisional setting     

Sandro Conticelli  Riccardo Avanzinelli  Sara Marchionni  Simone Tommasini  Leone Melluso 《Mineralogy and Petrology》2011,103(1-4):123-148

The Radicofani Volcano is characterised by few lava flows, a cinder cone and a denudated neck, and is part of the Tuscan Magmatic Province, the northernmost volcanic region of the Italian peninsula. In spite of the short time span of activity, a large time-dependant chemical and isotopic variability is observed. Most of the rocks of the Radicofani volcano are ultrapotassic shoshonites associated to younger basaltic andesites, found at the bottom of the neck. K₂O contents are positively correlated with trace element and isotopic variations. Shoshonitic and high-K calc-alkaline rocks of the Radicofani volcano are significantly different from shoshonites occurring in association with leucite-bearing ultrapotassic rocks in the southernmost portion of the Roman Magmatic Province. The studied rocks are characterised by high, but variable, levels of incompatible trace elements with a subduction-related signature, with troughs at Ba, Ta, Nb, and Ti, and peaks at Cs, K, Th, U, and Pb. Initial values of ⁸⁷Sr/⁸⁶Sr range from 0.71333 to 0.71588, ¹⁴³Nd/¹⁴⁴Nd ranges from 0.512050 to 0.512183, while the lead isotope ratios vary between 18.672 and 18.716 for ²⁰⁶Pb/²⁰⁴Pb, 15.665 to 15.696 for ²⁰⁷Pb/²⁰⁴Pb, and 39.981 to 39.081 for ²⁰⁸Pb/²⁰⁴Pb. Ultrapotassic shoshonites show the highest incompatible trace element contents coupled with the highest ⁸⁷Sr/⁸⁶Sr and the lowest ¹⁴³Nd/¹⁴⁴Nd. On the basis of geochemical and isotopic signatures it is argued that magmas were generated in a modified lithospheric peridotitic source containing metasomatic veins generated by K-rich melts from recycled sediments within the mantle via subduction. A further metasomatic event generated by slab-derived fluids pervasively enriched the peridotitic source. Partial melting of the veins produced leucite-free ultrapotassic magmas (i.e. lamproite), and was triggered by rising of the isotherms after the orogenic front migrated eastward in the Italian Peninsula. Further rise of the isotherms induced larger degrees of partial melting inducing melting of the surrounding wall peridotite. The variation of the degree of partial melting of such a heterogeneous peridotitic source produced a wide spectrum of magma compositions, which mimic a mixing line between two components: ultrapotassic magma from partial melting of the metasomatic vein and a basaltic andesitic magma from partial melting of the surrounding peridotite.  相似文献   

A note on modeling double diffusive mixing in the global ocean     

Lakshmi Kantha  Sandro Carniel  Mauro Sclavo 《Ocean Modelling》2011,36(1-2):40-48

Though ubiquitous in the global oceans, double diffusive mixing has been largely ignored or poorly represented in the models of turbulent mixing in the ocean and in 3-D ocean models, until recently. Salt fingers occur in the interior of many marginal seas and ocean basins, the Tyrrhenian Sea and the subtropical Atlantic being two examples. Diffusive convection type of double diffusion occurs in the upper layers of many sub-polar seas and polar oceans due to cold melt water from sea ice. Consequently, it is important to be able to properly parameterize double diffusive mixing in basin scale and global ocean models, so that the water mass structure in the interior of the ocean can be properly simulated. This note describes a model for double diffusive mixing in the presence of background shear, based on Mellor–Yamada type second moment closure, more specifically Kantha, 2003, Kantha and Clayson, 2004 second moment closure models of resulting turbulence, following Canuto et al. (2008a) but employing a different strategy for modeling the pertinent terms in the second moment equations. The resulting model is suitable for inclusion in ocean general circulation models.  相似文献   

Two GUIs-based analysis tool for spectroradiometer data pre-processing     

Francesca Garfagnoli  Gianluca Martelloni  Andrea Ciampalini  Luca Innocenti  Sandro Moretti 《Earth Science Informatics》2013,6(4):227-240

A new graphical user interface (GUI) for pre-processing reflectance spectra, built using MATLAB and expressly designed for the ASD FieldSpec® spectroradiometer, was developed to solve problems that generally affect experimental ASD data. The GUI is characterised by an easily readable, graphic visualisation of spectra, from which the absorption band depth (ABD) can be obtained for a selected wavelength. The output format of the ASD data is a binary file with an .asd extension. The binary file, that provides a single spectrum, can be processed using a software functionality, by means of a GUI, that allows to select one or more binary files to produce a spectral library in a unique .txt file. The spectral reflectance is re-calibrated with the “convex-hull” methodology to eliminate the convex shape, which is typical of reflectance spectra. Different examples of the use of the new GUI are provided.  相似文献   

New insights into Late Pleistocene explosive volcanic activity and caldera formation on Ischia (southern Italy)   总被引：2，自引：1，他引：1  

Richard J. Brown  Giovanni Orsi  Sandro de Vita 《Bulletin of Volcanology》2008,70(5):583-603

A new pyroclastic stratigraphy is presented for the island of Ischia, Italy, for the period ∼75–50 ka BP. The data indicate that this period bore witness to the largest eruptions recorded on the island and that it was considerably more volcanically active than previously thought. Numerous vents were probably active during this period. The deposits of at least 10 explosive phonolite to basaltic-trachyandesite eruptions are described and interpreted. They record a diverse range of explosive volcanic activity including voluminous fountain-fed ignimbrite eruptions, fallout from sustained eruption columns, block-and-ash flows, and phreatomagmatic eruptions. Previously unknown eruptions have been recognised for the first time on the island. Several of the eruptions produced pyroclastic density currents that covered the whole island as well as the neighbouring island of Procida and parts of the mainland. The morphology of Ischia was significantly different to that seen today, with edifices to the south and west and a submerged depression in the centre. The largest volcanic event, the Monte Epomeo Green Tuff (MEGT) resulted in caldera collapse across all or part of the island. It is shown to comprise at least two thick intracaldera ignimbrite flow-units, separated by volcaniclastic sediments that were deposited during a pause in the eruption. Extracaldera deposits of the MEGT include a pumice fall deposit emplaced during the opening phases of the eruption, a widespread lithic lag breccia outcropping across much of Ischia and Procida, and a distal ignimbrite in south-west Campi Flegrei. During this period the style and magnitude of volcanism was dictated by the dynamics of a large differentiated magma chamber, which was partially destroyed during the MEGT eruption. This contrasts with the small-volume Holocene and historical effusive and explosive activity on Ischia, the timing and distribution of which has been controlled by the resurgence of the Monte Epomeo block. The new data contribute to a clearer understanding of the long-term volcanic and magmatic evolution of Ischia.  相似文献   

List of papers from other journals     

Luciano Baresi  Sebastiano Colazzo  Luca Mainetti  Sandro Morasca 《Solar physics》1991,136(2):395-406

List of papers from other journals  相似文献