Search results for "Computational Mathematic"
showing 10 items of 987 documents
Using skeleton and Hough transform variant to correct skew in historical documents
2020
International audience; As a main part of several document analysis systems, Skew estimation represents one of the major research challenges, particularly in case of historical documents exploration. In this paper, we propose an original skew angle detection and correction technique. Morphological Skeleton is introduced to considerably diminish the amount of data by eliminating the redundant pixels and preserving only the central curves of the image components. Next, the proposed method uses Progressive Probabilistic Hough Transform (PPHT) to find image lines. At the end, a specific procedure is applied in order to measure the global skew angle of the document image from these identified li…
Modelling the carbon Snoek peak in ferrite: Coupling molecular dynamics and kinetic Monte-Carlo simulations
2008
Abstract Molecular statics, molecular dynamics and kinetic Monte-Carlo are used to model the carbon Snoek peak in ferrite. Using an interatomic EAM potential for the Fe–C system, saddle point energies for the diffusion of carbon have been evaluated under uniaxial stress by molecular statics. These energies have been reintroduced in a kinetic Monte-Carlo scheme to predict the repartition of carbon atoms in different octahedral sites. This repartition leads to an anelastic deformation calculated by molecular dynamics, which causes internal friction (the Snoek peak) for cyclic stress. This approach leads to quantitative predictions of the internal friction, which are in good agreement with exp…
Low-cost approximate reconstructing of heterogeneous microstructures
2016
We propose an approximate reconstruction of random heterogeneous microstructures using the two-exponent power-law (TEPL). This rule originates from the entropic descriptor (ED) that is a multi-scale measure of spatial inhomogeneity for a given microstructure. A digitized target sample is a cube of linear size L in voxels. Then, a number of trial configurations can be generated by a model of overlapping spheres of a fixed radius, which are randomly distributed on a regular lattice. The TEPL describes the averaged maximum of the ED as a function of the phase concentration and the radius. Thus, it can be used to determine the radius. The suggested approach is tested on surrogate samples of cer…
Accurate representation of the distributions of the 3D Poisson-Voronoi typical cell geometrical features
2019
Understanding the intricate and complex materials microstructure and how it is related to materials properties is an important problem in the Materials Science field. For a full comprehension of this relation, it is fundamental to be able to describe the main characteristics of the 3-dimensional microstructure. The most basic model used for approximating steel microstructure is the Poisson-Voronoi diagram. Poisson-Voronoi diagrams have interesting mathematical properties, and they are used as a good model for single-phase materials. In this paper we exploit the scaling property of the underlying Poisson process to derive the distribution of the main geometrical features of the grains for ev…
First-principles simulations of H centers in CaF2
2014
Abstract H center, a hole trapped at an interstitial anion site, placed in the bulk and the (1 1 1) surface of calcium fluoride CaF2, has been studied by using density functional theory (DFT) with hybrid exchange potentials, namely DFT-B3PW. The H center orients the (1 1 1) direction for the bulk case and the (1 0 0) direction for the surface case, and the hole is mainly localized on the interstitial fluorine. The surface H center leads to a remarkable XY-translation of the surface atoms. Spin and hyperfine coupling calculations show a considerable interaction between the unpaired spin and the spin of neighboring nuclei, and the surface effect strengthens the spin polarization and hyperfine…
Oxidation of small gas phase Pd clusters: A density functional study
2006
The adsorption sites of O2 on neutral PdN clusters (N = 1–4) were studied using spin density functional theory. Only for Pd1O2 molecular adsorption is found to be favorable. For Pd2–4O2 dissociative adsorption with the oxygen sitting on Pd bridge sites is preferred. Most Pd clusters remain in the same high spin states found for pure gas phase Pd clusters. Only the ground state of Pd4O2 increase its spin from a triplet to a quintet state. For molecular adsorption the O–O bond gets activated to a superoxo-like state.
Can aromaticity be connected with molecular polarizability? A theoretical study of benzene isomers and five-membered heterocyclic molecules
2004
Extended calculations of molecular electric dipole polarizability tensor, at Hartree-Fock and correlated level of accuracy (MP2, CCS, CC2, CCSD, and CCSD(T)) have been carried out to investigate whether aromaticity could be related to the electric dipole polarizability of planar ring systems. The calculations prove the exaltation of the average property of conjugated molecules, which is possibly due to their easily polarizable π-electron cloud. On the other hand, theoretical out-of-plane polarizability components are smaller in benzene than in any other C$_6$H$_6$ isomer. The aromatic stabilization energies of monosubstituted five-membered conjugated cyclic molecules increase in the same di…
On a Retarded Nonlocal Ordinary Differential System with Discrete Diffusion Modeling Life Tables
2021
In this paper, we consider a system of ordinary differential equations with non-local discrete diffusion and finite delay and with either a finite or an infinite number of equations. We prove several properties of solutions such as comparison, stability and symmetry. We create a numerical simulation showing that this model can be appropriate to model dynamical life tables in actuarial or demographic sciences. In this way, some indicators of goodness and smoothness are improved when comparing with classical techniques.
Adaptive interpolation with maximum order close to discontinuities
2022
Abstract Adaptive rational interpolation has been designed in the context of image processing as a new nonlinear technique that avoids the Gibbs phenomenon when we approximate a discontinuous function. In this work, we present a generalization to this method giving explicit expressions for all the weights for any order of the algorithm. It has a similar behavior to weighted essentially non oscillatory (WENO) technique but the design of the weights in this case is more simple. Also, we propose a new way to construct them obtaining the maximum order near the discontinuities. Some experiments are performed to demonstrate our results and to compare them with standard methods.
Approximation of exit times for one-dimensional linear diffusion processes
2020
International audience; In order to approximate the exit time of a one-dimensional diffusion process, we propose an algorithm based on a random walk. Such an algorithm was already introduced in both the Brownian context and the Ornstein-Uhlenbeck context, that is for particular time-homogeneous diffusion processes. Here the aim is therefore to generalize this efficient numerical approach in order to obtain an approximation of both the exit time and position for a general linear diffusion. The main challenge of such a generalization is to handle with time-inhomogeneous diffusions. The efficiency of the method is described with particular care through theoretical results and numerical example…