Acidities of confined water in interlayer space of clay minerals     

Xiandong Liu  Xiancai Lu  Evert Jan Meijer  for the Collab 《Geochimica et cosmochimica acta》2011,75(17):4978-4986

The acid chemistry of confined waters in smectite interlayers have been investigated with first principles molecular dynamics (FPMD) simulations. Aiming at a systematic picture, we establish the model systems to take account of the three possible controlling factors: layer charge densities (0 e, 0.5 e and 1.0 e per cell), layer charge locations (tetrahedral and octahedral) and interlayer counterions (Na⁺ and Mg²⁺). For all models, the interlayer structures are characterized in detail. Na⁺ and Mg²⁺ show significantly different hydration characteristics: Mg²⁺ forms a rigid octahedral hydration shell and resides around the midplane, whereas Na⁺ binds to a basal oxygen atom and forms a very flexible hydration shell, which consists of five waters on average and shows very fast water exchanges. The method of constraint is employed to enforce the water dissociation reactions and the thermodynamic integration approach is used to derive the free-energy values and the acidity constants. Based on the simulations, the following points have been gained. (1) The layer charge is found to be the direct origin of water acidity enhancement in smectites because the neutral pore almost does not have influences on water dissociations but all charged pores do. (2) With a moderate charge density of 0.5 e per cell, the interlayer water shows a pKa value around 11.5. While increasing layer charge density to 1.0 e, no obvious difference is found for the free water molecules. Since 1.0 e is at the upper limit of smectites’ layer charge, it is proposed that the calculated acidity of free water in octahedrally substituted Mg²⁺-smectite, 11.3, can be taken as the lower limit of acidities of free waters. (3) In octahedrally and tetrahedrally substituted models, the bound waters of Mg²⁺ show very low pKa values: 10.1 vs 10.4. This evidences that smectites can also promote the dissociations of the coordinated waters of metal cations. The comparison between the two Mg²⁺-smectites reveals that different layer charge locations do not lead to obvious differences for bound and free water acidities.  相似文献   

Applying essentially non‐oscillatory interpolation to controlled‐source electromagnetic modelling*     

M. Wirianto  W.A. Mulder  E.C. Slob 《Geophysical Prospecting》2011,59(1):161-175

Modelling and inversion of controlled‐source electromagnetic (CSEM) fields requires accurate interpolation of modelled results near strong resistivity contrasts. There, simple linear interpolation may produce large errors, whereas higher‐order interpolation may lead to oscillatory behaviour in the interpolated result. We propose to use the essentially non‐oscillatory, piecewise polynomial interpolation scheme designed for piecewise smooth functions that contains discontinuities in the function itself or in its first or higher derivatives. The scheme uses a non‐linear adaptive algorithm to select a set of interpolation points that represent the smoothest part of the function among the sets of neighbouring points. We present numerical examples to demonstrate the usefulness of the scheme. The first example shows that the essentially non‐oscillatory interpolation (ENO) scheme better captures an isolated discontinuity. In the second example, we consider the case of sampling the electric field computed by a finite‐volume CSEM code at a receiver location. In this example, the ENO interpolation performs quite well. However, the overall error is dominated by the discretization error. The other examples consider the comparison between sampling with essentially non‐oscillatory interpolation and existing interpolation schemes. In these examples, essentially non‐oscillatory interpolation provides more accurate results than standard interpolation, especially near discontinuities.  相似文献   

Reconstruction of sub-wavelength fractures and physical properties of masonry media using full-waveform inversion of proximal penetrating radar   总被引：1，自引：0，他引：1  

Claudio Patriarca  Sbastien Lambot  M.R. Mahmoudzadeh  Julien Minet  Evert Slob 《Journal of Applied Geophysics》2011,74(1):26-37

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Two‐dimensional controlled‐source electromagnetic interferometry by multidimensional deconvolution: spatial sampling aspects     

Jürg Hunziker  Evert Slob  Yuanzhong Fan  Roel Snieder  Kees Wapenaar 《Geophysical Prospecting》2012,60(5):974-994

We use numerically modelled data sets to investigate the sensitivity of electromagnetic interferometry by multidimensional deconvolution to spatial receiver sampling. Interferometry by multidimensional deconvolution retrieves the reflection response below the receivers after decomposition of the fields into upward and downward decaying fields and deconvolving the upward decaying field by the downward decaying field. Thereby the medium above the receiver level is replaced with a homogeneous half‐space, the sources are redatumed to the receiver level and the direct field is removed. Consequently, in a marine setting the retrieved reflection response is independent of any effect of the water layer and the air above. A drawback of interferometry by multidimensional deconvolution is a possibly unstable matrix inversion, which is necessary to retrieve the reflection response. Additionally, in order to correctly separate the upward and the downward decaying fields, the electromagnetic fields need to be sampled properly. We show that the largest possible receiver spacing depends on two parameters: the vertical distance between the source and the receivers and the length of the source. The receiver spacing should not exceed the larger of these two parameters. Besides these two parameters, the presence of inhomogeneities close to the receivers may also require a dense receiver sampling. We show that by using the synthetic aperture concept, an elongated source can be created from conventionally acquired data in order to overcome these strict sampling criteria. Finally, we show that interferometry may work under real‐world conditions with random noise and receiver orientation and positioning errors.  相似文献   

Background of ground penetrating radar measurements     

van der Kruk  J.  Slob  E.C.  Fokkema  J.T. 《Geologie en Mijnbouw》1998,77(2):177-188

Characterization of the shallow subsurface (0.25 to 10 m) is of growing importance for engineering activities, solutions of environmental problems, and archaeological investigations. Ground-penetrating radar (GPR) is an appropriate technique considering the depth range of interest, the strength of electric and magnetic contrasts between different subsurface layers and buried objects, and the required resolution. GPR surveys can detect subsurface structures by recording electromagnetic reflections from discontinuities. The detectability of objects and the delineation of subsurface structures increases with increasing wave velocity and conductivity differences between the object and its surroundings or between adjacent layers. However, unwanted reflections from objects above the surface influence the images. Shielded antennas can be used to avoid strong reflections from these objects. The data thus obtained are, however, more difficult to interpret. The fundamentals of GPR and two different acquisition setups for a GPR system are discussed. Basic interpretation tools for travel-time and velocity estimation are described, and finally, case studies are presented, followed by conclusions.  相似文献   

Reply to comment on ‘Aspects of 1D seismic modelling using the Goupillaud principle ‘by Dan Loewenthal1     

Anton Ziolkowski  Evert Slob 《Geophysical Prospecting》1994,42(1):91-92

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A multiphysics and multiscale software environment for modeling astrophysical systems     

Simon Portegies Zwart  Steve McMillan  Stefan Harfst  Derek Groen  Michiko Fujii  Breanndán Ó Nualláin  Evert Glebbeek  Douglas Heggie  James Lombardi  Piet Hut  Vangelis Angelou  Sambaran Banerjee  Houria Belkus  Tassos Fragos  John Fregeau  Evghenii Gaburov  Rob Izzard  Mario Jurić  Stephen Justham  Andrea Sottoriva  Marcel Zemp 《New Astronomy》2009,14(4):369-378

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality and computational efficiency. This approach allows scientists to use combinations of codes to solve highly coupled problems without the need to write new codes for other domains or significantly alter their existing codes. MUSE currently incorporates the domains of stellar dynamics, stellar evolution and stellar hydrodynamics for studying generalized stellar systems. We have now reached a “Noah’s Ark” milestone, with (at least) two available numerical solvers for each domain. MUSE can treat multiscale and multiphysics systems in which the time- and size-scales are well separated, like simulating the evolution of planetary systems, small stellar associations, dense stellar clusters, galaxies and galactic nuclei. In this paper we describe three examples calculated using MUSE: the merger of two galaxies, the merger of two evolving stars, and a hybrid N-body simulation. In addition, we demonstrate an implementation of MUSE on a distributed computer which may also include special-purpose hardware, such as GRAPEs or GPUs, to accelerate computations. The current MUSE code base is publicly available as open source at http://muse.li.  相似文献   

Brussels: Five capitals in search of a place. The citizens, the planners and the functions     

Evert Lagrou 《GeoJournal》2000,51(1-2):99-112

The paper describes the different capital city functions that are accomodated in Brussels. There are in fact five different capitals in Brussels in search of a place. Their locations are conditioned by Brussels' eventful history. The analysis subsequently focuses on the rather negative relation between the local public intellectuals and the city's European capital functions. The location of the European headquarters within the existing urban fabric – unlike Luxemburg and Strasbourg – has caused residential expulsion and further confrontations with the local community during all expansions.Brussels has the most politically decisive institutions. The competition with Luxemburg and Strasbourg has in the past given rise to dubious building processes and hidden agendas regarding the further construction of the necessary space for Europe.Unlike most other capitals Brussels has a low degree of esteem from its citizens. The After-May 68- Movement reacting initially against the CIAM-realisations during the 1970s, continues its activities up until today against two highly symbolic projects: the North Station area called the Manhattan Quarter and the European Headquarters. The movement launched the term Brusselization on the international forum and continues to promote the negative image of its city – notwithstanding the complete change of the official urban planning.The article is a plea for the integration of the actual one-sided advocacy planning within a more comprehensive urban planning approach where strong and soft functions are more in balance. This can also improve the quality of the new European campus now under consideration to accomodate the entry of the East European states in the Union.  相似文献   

Numerical relationships between magnetic parameters measured in Quaternary sediments and global paleoclimatic proxies     

Alfredo Peralta  Vincenzo Costanzo-Alvarez  Eduardo Carrillo  Leonardo Evert Durán  Milagrosa Aldana  Daniel Rey 《Studia Geophysica et Geodaetica》2013,57(4):647-668

The complexity of most geological and geophysical problems prompts sometimes the use of non linear mathematical methods to handle them. An adaptive neuro fuzzy inference system (ANFIS) that combines fuzzy logic with neural networks, is applied here to study a paleoclimate section from the Quaternary sedimentary fill of the Lake Mucubají (western Venezuela). The purpose of this work is to find a set of numerical relationships that could predict the possible connections between oxygen isotope (δ¹⁸O) values from two different locations in the northern hemisphere (Ammersee in southern Germany and an ice core from the Greenland Ice Core Project — GRIP) and rock-magnetic parameters measured in Mucubají samples (i.e. mass-specific magnetic susceptibility — χ, magnetic remanence S-ratio, mass-specific saturation isothermal remanent magnetization — SIRM and anhysteretic remanent magnetization — ARM). The best inferences in terms of coefficient of determionation R² and the Root Mean-Square Error (RMSE) are obtained using those magnetic data as input that include information about magnetite grain size distributions, e.g., SIRM and ARM in FIS structures [1χ, 4ARM] and [4ARM, 1SIRM]. A comparison between Ammersee and GRIP actual data, as well as their corresponding inferences for the FIS structure [4ARM, 1SIRM], reveals a reasonable good inference of global trends for both records, overlooking the regional and/or local paleoclimate forcings that might have affected Ammersee. A better correlation between global isotope paleoclimate records and magnetic proxies, is perhaps prevented by the role played by local and regional paleoclimate and tectonism in Mucubají. We also argue that the ratio of ARM over SIRM appears to be related in a complex way to the onset and to the end of the Younger Dryas. Our novel approach to the assessment of a specific paleoclimate case study shows the potential of the ANFIS technique in solving problems where traditional univariate and multivariate linear regression methods could prove inadequate.  相似文献   

Data-driven retrieval of primary plane-wave responses     

Giovanni Angelo Meles  Lele Zhang  Jan Thorbecke  Kees Wapenaar  Evert Slob 《Geophysical Prospecting》2020,68(6):1834-1846

Seismic images provided by reverse time migration can be contaminated by artefacts associated with the migration of multiples. Multiples can corrupt seismic images, producing both false positives, that is by focusing energy at unphysical interfaces, and false negatives, that is by destructively interfering with primaries. Multiple prediction/primary synthesis methods are usually designed to operate on point source gathers and can therefore be computationally demanding when large problems are considered. A computationally attractive scheme that operates on plane-wave datasets is derived by adapting a data-driven point source gathers method, based on convolutions and cross-correlations of the reflection response with itself, to include plane-wave concepts. As a result, the presented algorithm allows fully data-driven synthesis of primary reflections associated with plane-wave source responses. Once primary plane-wave responses are estimated, they are used for multiple-free imaging via plane-wave reverse time migration. Numerical tests of increasing complexity demonstrate the potential of the proposed algorithm to produce multiple-free images from only a small number of plane-wave datasets.  相似文献