Search results for "LEM"

Rapid evaluation of notch stress intensity factors using the peak stress method with 3D tetrahedral finite element models: Comparison of commercial c…

2022

The peak stress method (PSM) allows a rapid application of the notch stress intensity factor (NSIF) approach to the fatigue life assessment of welded structures, by employing the linear elastic peak stresses evaluated by FE analyses with coarse meshes. Because of the widespread adoption of 3D modeling of large and complex structures in the industry, the PSM has recently been boosted by including four-node and ten-node tetrahedral elements of Ansys FE software, which allows to discretize complex geometries. In this paper, a Round Robin among eleven Italian Universities has been performed to calibrate the PSM with seven different commercial FE software packages. Several 3D mode I, II and III …

THE ROLE OF CALCIUM AS A METALLOTHERAPEUTIC DRUG

2005

Integrative analysis of the mineralogical and chemical composition of modern microbialites from ten Mexican lakes: What do we learn about their forma…

2021

International audience; Interpreting the environmental conditions under which ancient microbialites formed relies upon comparisons with modern analogues. This is why we need a detailed reference framework relating the chemical and mineralogical compositions of modern microbialites to the physical and chemical parameters prevailing in the environments where they form. Here, we measured the chemical, including major and trace elements, and mineralogical composition of microbialites from ten Mexican lakes as well as the chemical composition of the surrounding waters. Saturation states of lakes with different mineral phases were systematically determined and correlations between solution and so…

Entanglement entropy in a periodically driven quantum Ising chain

2016

We numerically study the dynamics of entanglement entropy, induced by an oscillating time periodic driving of the transverse field, h(t), of a one-dimensional quantum Ising chain. We consider several realizations of h(t), and we find a number of results in analogy with entanglement entropy dynamics induced by a sudden quantum quench. After short-time relaxation, the dynamics of entanglement entropy synchronises with h(t), displaying an oscillatory behaviour at the frequency of the driving. Synchronisation in the dynamics of entanglement entropy, is spoiled by the appearance of quasi-revivals which fade out in the thermodynamic limit, and which we interpret using a quasi-particle picture ada…

Aggregation of [Ln(12)(III)] clusters by the dianion of 3-formylsalicylic acid. Synthesis, crystal structures, magnetic and luminescence properties

2019

Three isostrucutral dodecanuclear clusters with the general formula [Ln(12)(fsa)(12)(mu f(3)-OH)(12)(DMF)(12)]center dot nDMF (fsa(2-) is the dianion of 3-formylsalicylic acid; Ln = Eu 1, Gd 2, Dy 3) have been obtained from the reaction of fromylsalicyclic acid (H(2)fsa), tetrabutylammonium hydroxide and Ln(NO3)(3)center dot 6H(2)O in methanol/DMF. Their structure consists of four vertex-sharing heterocubanes. Each heterocubane unit is assembled from four Ln(III) ions, three mu(3)-OH groups and one mu(3)-oxygen atom arising from the fsa(2-) carboxylato group. The photophysical properties of the europium derivative investigated at both 300 and 80 K sustain a relative intense emission obtaine…

Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties

2015

Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup&gt…

The transition state and cognate concepts

2019

Abstract This review aims firstly to clarify the meanings of key terms and concepts associated with the idea of the transition state, as developed by theoreticians and applied by experimentalist, and secondly to provide an update to the meaning and significance of the transition state in an era when computational simulation, in which complexity is being increasingly incorporated, is commonly employed as a means by which to bridge the realms of theory and experiment. The relationship between the transition state and the potential-energy surface for an elementary reaction is explored, with discussion of the following terms: saddle point, minimum-energy reaction path, reaction coordinate, acti…

Injection and ultrafast regeneration in dye-sensitized solar cells

2014

Injection of an electron from the excited dye molecule to the semiconductor is the initial charge separation step in dye-sensitized solar cells (DSC's). Though the dynamics of the forward injection process has been widely studied, the results reported so far are controversial, especially for complete DSC's. In this work, the electron injection in titanium dioxide (TiO2) films sensitized with ruthenium bipyridyl dyes N3 and N719 was studied both in neat solvent and in a typical iodide/triiodide (I-/I3 -) DSC electrolyte. Transient absorption (TA) spectroscopy was used to monitor both the formation of the oxidized dye and the arrival of injected electrons to the conduction band of TiO2. Emiss…

Hybrid Equilibrium Finite Element Formulation for Cohesive Crack Propagation

2019

Equilibrium elements have been developed in hybrid formulation with independent equilibrated stress fields on each element. Traction equilibrium condition, at sides between adjacent elements and at sides of free boundary, is enforced by use of independent displacement laws at each side, assumed as Lagrangian parameters. The displacement degrees of freedom belongs to the element side, where an extrinsic interface can be embedded. The embedded interface is defined by the same stress fields of the hybrid equilibrium element and it does not require any additional degrees of freedom. The extrinsic interface is developed in the consistent thermodynamic framework of damage mechanics with internal …

Virtual Element Method: Micro-Mechanics Applications

2019

In this contribution we present an application of the lowest order Virtual Element Method (VEM) to the problem of material computational homogenization. Material homogenization allows retrieving material properties through suitable volume averaging procedures, starting from a detailed representation of the micro-constituents of the considered material. The representation of such microstructure constitutes a remarkable effort in terms of data/mesh preparation, especially when there is not evident microstructural regularity. For such a reason, computational micromechanics may represent a challenging benchmark for showing the potential of VEM. In this contribution, polycrystalline materials ar…