Search results for "Computation"
showing 10 items of 7362 documents
A HYBRID VEM/BEM NUMERICAL TECHNIQUE FOR SIMULATING DAMAGE IN COMPOSITE MATERIALS
2021
Composite materials are nowadays widely used in the aerospace sector both for primary and secondary structures for their high mechanical properties and the ability to model them according to project needs. Therefore, accurately predicting material behaviour when subjected to operating loads is extremely important in making the design process more efficient. For this purpose, computational approaches based on continuum damage mechanics have been largely used to study the progressive loss of material integrity due to the propagation and coalescence of microscopic defects. In this contribution, a recently developed hybrid computational technique, which combines the Virtual Element Method (VEM)…
Coupling BEM and VEM for the Analysis of Composite Materials with Damage
2021
Numerical tools which are able to predict and explain the initiation and propagation of damage at the microscopic level in heterogeneous materials are of high interest for the analysis and design of modern materials. In this contribution, we report the application of a recently developed numerical scheme based on the coupling between the Virtual Element Method (VEM) and the Boundary Element Method (BEM) within the framework of continuum damage mechanics (CDM) to analyze the progressive loss of material integrity in heterogeneous materials with complex microstructures. VEM is a novel numerical technique that, allowing the use of general polygonal mesh elements, assures conspicuous simplific…
Special Splines of Exponential Type for the Solutions of Mass Transfer Problems in Multilayer Domains
2016
We consider averaging methods for solving the 3-D boundary-value problem of second order in multilayer domain. The special hyperbolic and exponential type splines, with middle integral values of piece-wise smooth function interpolation are considered. With the help of these splines the problems of mathematical physics in 3-D with piece-wise coefficients are reduced with respect to one coordinate to 2-D problems. This procedure also allows to reduce the 2-D problems to 1-D problems and the solution of the approximated problemsa can be obtained analytically. In the case of constant piece-wise coefficients we obtain the exact discrete approximation of a steady-state 1-D boundary-value problem.…
Effects of Carbon-sp3 Bridging on the Electronic Properties of Oligothiophenes
1999
Abstract The electronic properties of rigidified, carbon sp 3 -bridged bithiophenes and terthiophenes have been investigated using density functional theory calculations, sp 3 Bridging has no effect on the bandgap other than that associated to the planarization of the system. Rigidification significantly improves the ability of oligothiophenes as electron donors but diminishes their electron accepting capacity. Grafting of substituents at the sp 3 bridging carbon slightly modifies the electronic properties.
A noninvasive approach for the assessment of dental implants stability
2015
We propose the Electromechanical Impedance (EMI) technique to monitor the stability of dental implants. The technique consists of bonding one wafer-type piezoelectric transducers to the implant system. When subjected to an electric field, the transducer induces structural excitations which, in turn, affect the transducer’s electrical admittance. The hypothesis is that the health of the bone surrounding the implant affects the sensor’s admittance. In this paper we present the results of an experiment where a sensor is bonded to an abutment screwed to implants secured into bovine bone samples. The results show that the EMI technique can be used to monitor the stability of dental implants alth…
Highly nonlinear solitary waves for the NDT of slender beams
2015
Slender beams subjected to compressive load are common in civil engineering. The rapid in-situ measurement of this stress may help preventing structural anomalies. In this article we describe the coupling mechanism between Highly Nonlinear Solitary Waves (HNSWs) propagating along a granular system in contact with a beam subjected to thermal stress. We evaluate the use of these waves to measure stress in thermally loaded structures and to estimate the neutral temperature, i.e. the temperature at which the stress is null. We investigate numerically and experimentally one and two L-shaped chains of spherical particles in contact with a prismatic beam subjected to heat. We find that certain fea…
A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculations.
2008
LCAO and PW DFT calculations of the lattice constant, bulk modulus, cohesive energy, charge distribu- tion, band structure, and DOS for UN single crystal are analyzed. It is demonstrated that a choice of the uranium atom relativistic effective core potentials considerably affects the band structure and magnetic structure at low tem- peratures. All calculations indicate mixed metallic-covalent chemical bonding in UN crystal with U5f states near the Fermi level. On the basis of the experience accumulated in UN bulk simulations, we compare the atomic and elec- tronic structure as well as the formation energy for UN(001) surface calculated on slabs of different thickness using both DFT approach…
Variable-order reference-free variant discovery with the Burrows-Wheeler Transform
2020
Abstract Background In [Prezza et al., AMB 2019], a new reference-free and alignment-free framework for the detection of SNPs was suggested and tested. The framework, based on the Burrows-Wheeler Transform (BWT), significantly improves sensitivity and precision of previous de Bruijn graphs based tools by overcoming several of their limitations, namely: (i) the need to establish a fixed value, usually small, for the order k, (ii) the loss of important information such as k-mer coverage and adjacency of k-mers within the same read, and (iii) bad performance in repeated regions longer than k bases. The preliminary tool, however, was able to identify only SNPs and it was too slow and memory con…
Theoretical study of the low‐lying states of trans‐1,3‐butadiene
1992
We present extensive ab initio calculations on the low‐lying electronic states of trans‐1,3‐butadiene within the multireference configuration interaction (MRCI) framework by selecting the configurations with a perturbative criterion. The X 1Ag ground state and 1 3Bu, 1 3Ag, 2 1Ag, and 1 1Bu valence excited states have been calculated at a fixed geometry. The results obtained are in good agreement with previous experimental and calculated values, and could help to understand polyene spectroscopy, photochemistry, and photophysics. The advantages of a MRCI method where the most important contributions to the total MRCI wave function, perturbatively selected, are treated variationally, and the …
Bézier surfaces of minimal area: The Dirichlet approach
2004
The Plateau-Bezier problem consists in finding the Bezier surface with minimal area from among all Bezier surfaces with prescribed border. An approximation to the solution of the Plateau-Bezier problem is obtained by replacing the area functional with the Dirichlet functional. Some comparisons between Dirichlet extremals and Bezier surfaces obtained by the use of masks related with minimal surfaces are studied.