Analysis of Nonlinear Poro-Elastic and Poro-Visco-Elastic Models

We consider the initial and boundary value problem for a system of partial differential equations describing the motion of a fluid–solid mixture under the assumption of full saturation. The ability of the fluid phase to flow within the solid skeleton is described by the permeability tensor, which is assumed here to be a multiple of the identity and to depend nonlinearly on the volumetric solid strain. In particular, we study the problem of the existence of weak solutions in bounded domains, accounting for non-zero volumetric and boundary forcing terms. We investigate the influence of viscoelasticity on the solution functional setting and on the regularity requirements for the forcing terms. The theoretical analysis shows that different time regularity requirements are needed for the volumetric source of linear momentum and the boundary source of traction depending on whether or not viscoelasticity is present. The theoretical results are further investigated via numerical simulations based on a novel dual mixed hybridized finite element discretization. When the data are sufficiently regular, the simulations show that the solutions satisfy the energy estimates predicted by the theoretical analysis. Interestingly, the simulations also show that, in the purely elastic case, the Darcy velocity and the related fluid energy might become unbounded if indeed the data do not enjoy the time regularity required by the theory.     

Studying ancient crop provenance: implications from δ(13)C and δ(15)N values of charred barley in a Middle Bronze Age silo at Ebla(NW Syria)

The discovery of a storeroom full of barley and other cereals (L.9512) in the proto-historic site of Ebla has provided a unique opportunity to study the centralized storage system of the early city-state from a different perspective. Epigraphic evidence available within the site reveals a complex system of taxation which included gathering grain tributes from satellite sites and redistributing semi-finished products such as flour. In this paper, we intend to explore the possibilities of a combined approach to studying the storage system, based on estimated barley grain volumes and δ(13)C-δ(15)N analyses. This approach is used to distinguish between grain from different harvesting sites and to identify any grain cultivated using special agricultural practices (e.g. manuring or irrigation). The basic assumption for this kind of analysis is that the growth-site conditions, natural or anthropogenic, of harvested cereals are reflected in their grain size and δ(13)C-δ(15)N values. Since the remains found in the storeroom were charred, the first task was to evaluate the effect of carbonization on the δ(13)C-δ(15)N and the size of the grains. Thus, the effect of charring was tested on modern samples of Syrian barley landraces. Once it had been ascertained that fresh grains reduced to charred remains retain their original biometric and isotopic traits, the ancient material was examined. Thirteen groups were identified, each characterized by a specific average volume and specific carbon and nitrogen values. The analysis revealed that what had first appeared to be a homogeneous concentration of grain was in fact an assemblage of barley harvested from different sites.     

Computational models for the numerical simulation of voltage operated channels in nano–bio–electronics

In this article, we discuss the use of computational models in the study of voltage operated channels (VOCs) for bio-electronic applications. Electrochemical and fluid–mechanical ionic transport are described through the coupled use of systems of partial and ordinary differential equations (PDEs and ODEs). Functional iteration techniques for system decoupling and mixed–hybridized finite element discretization methods are proposed and validated in the simulation of realistic problems in Electrophysiology and Biochemistry. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

A dysprosium single molecule magnet outperforming current pseudocontact shift agents

A common criterion for designing performant single molecule magnets and pseudocontact shift tags is a large magnetic anisotropy. In this article we present a dysprosium complex chemically designed to exhibit strong easy-axis type magnetic anisotropy that is preserved in dichloromethane solution at room temperature. Our detailed theoretical and experimental studies on the magnetic properties allowed explaining several features typical of highly performant SMMs. Moreover, the NMR characterization shows remarkably large chemical shifts, outperforming the current state-of-the art PCS tags.

A robust dysprosium(iii) single molecule magnet with large uniaxial magnetic anisotropy induces pseudocontact shifts at almost doubled distance compared to standard shift agents.     

Encapsulation of Tetraazaannulenato Compounds in Matrix by Sol-Gel Process

The hybrid organic-inorganic catalyst constituted by {5,7,12,14-tetramethyldibenzo[b,i]-1,4,8,11-tetraaza[14]annulenato} nickel (II), NiTMTAA, encapsulated in an alumina matrix has been prepared. NiTMTAA was synthesized by the reaction of nickel acetate with o-phenylenediamine in the presence of 2,4-pentanedione under argon atmosphere. The alumina hybrid material was obtained by a non hydrolytic sol-gel route, through the condensation of aluminum chloride with diisopropylether in the presence of NiTMTAA. The material has been prepared through precipitation from a gel. Characterization of the alumina hybrid material has been performed by ultra violet-visible spectroscopy, electron spectroscopic imaging, surface area, atomic absorption, infrared spectroscopy, and thermogravimetric analysis. The ultra violet-visible absorption spectrum of the hybrid material has bands characteristic of the NiTMTAA compound showing that the structure of NiTMTAA has been preserved in the hybrid material. The new material has a surface area of 300 m²/g. The electron image was that of a non-crystalline microstructure. Comparison between the leaching of NiTMTAA from NiTMTAA adsorbed on commercial neutral alumina confirm that in the non-hydrolytic materials the NiTMTAA is entrapped and not only adsorbed on the alumina surface. The use of conventional hydrolytic sol-gel process leads to the complete leaching of NiTMTAA from matrix, underlining the importance of the non-hydrolytic alumina gel process in the matrix preparation. The new catalysts prepared were tested for their ability to catalyze the epoxidation of (Z)-cyclooctene using iodosylbenzene as oxygen donor, giving moderate yields in the epoxidation (40%), while the homogeneous NiTMTAA is inactive due to NiTMTAA bleaching. These results emphasize the effect of the non-hydrolytic alumina matrix to prevent chemical degradation of NiTMTAA.     

Testing the topographical global initialization strategy in the framework of an unconstrained optimization method

In general, classical iterative algorithms for optimization, such as Newton-type methods, perform only local search around a given starting point. Such feature is an impediment to the direct use of these methods to global optimization problems, when good starting points are not available. To overcome this problem, in this work we equipped a Newton-type method with the topographical global initialization strategy, which was employed together with a new formula for its key parameter. The used local search algorithm is a quasi-Newton method with backtracking. In this approach, users provide initial sets, instead of starting points. Then, using points sampled in such initial sets (merely boxes in \({\mathbb {R}}^{n}\)), the topographical method selects appropriate initial guesses for global optimization tasks. Computational experiments were performed using 33 test problems available in literature. Comparisons against three specialized methods (DIRECT, MCS and GLODS) have shown that the present methodology is a powerful tool for unconstrained global optimization.     

A multi-scale enriched model for the analysis of masonry panels

A multi-scale model for the structural analysis of the in-plane response of masonry panels, characterized by periodic arrangement of bricks and mortar, is presented. The model is based on the use of two scales: at the macroscopic level the Cosserat micropolar continuum is adopted, while at the microscopic scale the classical Cauchy medium is employed. A nonlinear constitutive law is introduced at the microscopic level, which includes damage, friction, crushing and unilateral contact effects for the mortar joints. The nonlinear homogenization is performed employing the Transformation Field Analysis (TFA) technique, properly extended to the macroscopic Cosserat continuum. A numerical procedure is developed and implemented in a Finite Element (FE) code in order to analyze some interesting structural problems. In particular, four numerical applications are presented: the first one analyzes the response of the masonry Representative Volume Element (RVE) subjected to a cyclic loading history; in the other three applications, a comparison between the numerically evaluated response and the micromechanical or experimental one is performed for some masonry panels.