Search results for "Computational Mathematic"
showing 10 items of 987 documents
Products of Bessel functions and associated polynomials
2013
The symbolic method is used to get explicit formulae for the products or powers of Bessel functions and for the relevant integrals.
Indefinite integrals for some orthogonal polynomials obtained using integrating factors
2020
A method has been presented recently for deriving integrals of special functions using two kinds of integrating factor for the homogeneous second-order linear differential equations which many spec...
Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene
1993
The importance of characterizing the stationary points of the intermolecular potential by means of Hessian eigenvalues is illustrated for the calculation of the benzene–benzene interaction using an atom-to-atom pair potential proposed by Fraga (FAAP). Two models, the standard one-center-per atom and another using three-centers-per atom due to Hunter and Sanders, are used to evaluate the electrostatic contributions and the results are compared. It is found in both cases that although using low-gradient thresholds allows optimization procedures to avoid many stationary points that are not true minima computing time considerations makes the usual procedure of using high-gradient thresholds [sa…
Advances in the enumeration of foldable self-avoiding walks
2020
<font color="#336633">Self-avoiding walks (SAWs) have been studied for a long time due to their intrinsic importance and the many application fields in which they operate. A new subset of SAWs, called foldable SAWs, has recently been discovered when investigating two different SAW manipulations embedded within existing protein structure prediction (PSP) software. Since then, several attempts have been made to find out more about these walks, including counting them. However, calculating the number of foldable SAWs appeared as a tough work, and current supercomputers fail to count foldable SAWs of length exceeding ≈ 30 steps. In this article, we present new progress in this enumeration, bo…
Eckhaus instability of stationary patterns in hyperbolic reaction–diffusion models on large finite domains
2022
AbstractWe have theoretically investigated the phenomenon of Eckhaus instability of stationary patterns arising in hyperbolic reaction–diffusion models on large finite domains, in both supercritical and subcritical regime. Adopting multiple-scale weakly-nonlinear analysis, we have deduced the cubic and cubic–quintic real Ginzburg–Landau equations ruling the evolution of pattern amplitude close to criticality. Starting from these envelope equations, we have provided the explicit expressions of the most relevant dynamical features characterizing primary and secondary quantized branches of any order: stationary amplitude, existence and stability thresholds and linear growth rate. Particular em…
Study of a medium-size biological molecular association by means of a pair potential semiempirical approach: β-carboline-lumiflavin
1985
The molecular association between some substituted β-carbolines and a model flavin, lumiflavin, has been studied by means of a semiempirical approach proposed by Fraga based on a 1/R expansion of atom-atom pair potentials. Only stacked minima have been considered because of their possible biological interest. The calculations characterize 15 different minimum stacked conformations, most of them occurring in the complexes considered. The structural and energetic effects of 1–Me, 6–OH and 7–OH substituents of β-carboline are discussed. An equilibrium conformation involving geometric overlap between the pteridinic portion of flavin and the indole group of β-carboline is predicted to be the mos…
Definition of a fiber macro-model for nonlinear analysis of infilled frames
2017
A common way to model infill-frame interaction is the use equivalent strut macromodels. In most cases these are compression only resistant truss elements defined with a multi-linear axial-force / axial-displacement law. The main difficulty in using this approach is to correctly calibrate such a force-displacement curve (slope of ascending and post-peak branches, critical yielding, peak and residual forces) because of the large number of variables (mechanical and elastic properties of materials) and the different possible damage mechanisms activated for the frame-infill system. Another possible way is using fiber-section elements as diagonal struts. In this case the force-displacement law is…
An overview of incremental feature extraction methods based on linear subspaces
2018
Abstract With the massive explosion of machine learning in our day-to-day life, incremental and adaptive learning has become a major topic, crucial to keep up-to-date and improve classification models and their corresponding feature extraction processes. This paper presents a categorized overview of incremental feature extraction based on linear subspace methods which aim at incorporating new information to the already acquired knowledge without accessing previous data. Specifically, this paper focuses on those linear dimensionality reduction methods with orthogonal matrix constraints based on global loss function, due to the extensive use of their batch approaches versus other linear alter…
The Poisson problem: A comparison between two approaches based on SPH method
2012
Abstract In this paper two approaches to solve the Poisson problem are presented and compared. The computational schemes are based on Smoothed Particle Hydrodynamics method which is able to perform an integral representation by means of a smoothing kernel function by involving domain particles in the discrete formulation. The first approach is derived by means of the variational formulation of the Poisson problem, while the second one is a direct differential method. Numerical examples on different domain geometries are implemented to verify and compare the proposed approaches; the computational efficiency of the developed methods is also studied.
Generating harmonic surfaces for interactive design
2014
Abstract A method is given for generating harmonic tensor product Bezier surfaces and the explicit expression of each point in the control net is provided as a linear combination of prescribed boundary control points. The matrix of scalar coefficients of these combinations works like a mould for harmonic surfaces. Thus, real-time manipulation of the resulting surfaces subject to modification of prescribed information is possible.