Search results for "method"
showing 10 items of 13253 documents
A Domain Imbedding Method with Distributed Lagrange Multipliers for Acoustic Scattering Problems
2003
The numerical computation of acoustic scattering by bounded twodimensional obstacles is considered. A domain imbedding method with Lagrange multipliers is introduced for the solution of the Helmholtz equation with a second-order absorbing boundary condition. Distributed Lagrange multipliers are used to enforce the Dirichlet boundary condition on the scatterer. The saddle-point problem arising from the conforming finite element discretization is iteratively solved by the GMRES method with a block triangular preconditioner. Numerical experiments are performed with a disc and a semi-open cavity as scatterers.
Design of an FBG based-on sensor device for large displacement deformation
2013
This article deals with the modeling of a strain-displacement transducer conceived for extending the FBG measurement range. The intrinsic fragility of the optical fiber limits their application to cases characterized by relatively small deformations. To extend the employ to the large displacement field (i.e. morphing applications), a dedicated device was conceived, constituted by a circular ring connected to the structure and laterally integrated with a FBG sensor. This device was mathematically modeled minimizing the potential energy this way arriving at a description of the displacement and deformation field along the curvilinear abscissa. The theoretical predictions were then validated t…
Apodization of imaging systems by means of a random spatially nonstationary absorbing screen
1992
The amplitude impulse response (AIR) of coherent imaging systems with random binary apodizers is analyzed. Formulas for the mean value and the variance of the AIR are derived for two statistical one-dimensional models of apodizers: (1) nonuniform low-density shot noise and (2) a nonuniform unipolar synchronous random process. We show that for both models a high signal-to-noise ratio is achieved within the central peak and the low-order sidelobes of the AIR. Apodizers based on the second model permit higher values of the signal-to-noise ratio than those based on the first one.
Full modal analysis of confocal coaxial elliptical waveguides
2000
An efficient method for analysing confocal coaxial elliptical waveguides is presented. Using elliptical coordinates, the differential Helmholtz equation is transformed into a linear matrix eigenvalue problem by means of the method of moments. The expressions of the vector mode functions for the full spectrum of these guides are constructed, including the TEM, TM and TE modes. The convergence of the method is very good, giving an efficient and accurate code. Comparisons with numerical results found in the technical literature validate the presented theory.
Theoretical electronic spectra of 2-aminopurine in vapor and in water
2006
The accurate quantum chemical CASSCF and CASPT2 methods combined with a Monte Carlo procedure to mimic solvation effects have been used in the calculation of the spectroscopic properties of two tautomers of 2-aminopurine (2AP). Absorption and emission spectra have been simulated both in vacuum and in aqueous environment. State and transition energies and properties have been obtained with high accuracy, leading to the assignment of the most important spectroscopic features. The lowest-lying 1 (,*) ( 1 La) state has been determined as responsible for the first band in the absorption spectrum and also for the strong fluorescence observed for the system in water. The combined approach used in …
Theoretical study of the molecular structure and the stability of neutral and reduced tetracyanoethylene
2003
Abstract The molecular structure and the stability of neutral, anionic, and dianionic tetracyanoethylene (TCNE) have been studied with MP2, coupled-cluster (CC), and density functional theory (DFT) procedures. The optimized geometries are in agreement with the available experimental data, although significant deviations for the CN bond distance have been obtained at the MP2 level. The adiabatic electron affinity of TCNE calculated with the B3LYP method is overestimated by 0.32 eV. In the light of the CC results, the source of such an overestimation is suggested to lie on the theoretical approach, rather than on a too low experimental value.
Continuum Monte Carlo simulation of phase transitions in rod-like molecules at surfaces
1994
Stiff rod-like chain molecules with harmonic bond length potentials and trigonometric bond angle potentials are used to model Langmuir monolayers at high densities. One end of the rod-like molecules is strongly bound to a flat two-dimensional substrate which represents the air-water interface. A ground-state analysis is performed which suggests phase transitions between phases with and without collective uniform tilt. Large-scale off-lattice Monte Carlo simulations over a wide temperature range show in addition to the tilting transition the presence of a strongly constrained melting transition at high temperatures. The latter transition appears to be related to two-dimensional melting of th…
sj-pdf-1-smr-10.1177_00491241221092725 - Supplemental material for Improving Estimates Accuracy of Voter Transitions. Two New Algorithms for Ecologic…
2022
Supplemental material, sj-pdf-1-smr-10.1177_00491241221092725 for Improving Estimates Accuracy of Voter Transitions. Two New Algorithms for Ecological Inference Based on Linear Programming by Jose M. Pavía and Rafael Romero in Sociological Methods & Research
Elastic properties, structures and phase transitions in model colloids
2004
The nature of the melting transition for a system of hard discs with translational degrees of freedom in two spatial dimensions has been analysed by a combination of computer simulation methods and a finite size scaling technique. The behaviour of the system is consistent with the predictions of the Kosterlitz–Thouless–Halperin–Nelson–Young (KTHNY) theory. The structural and elastic properties of binary colloidal mixtures in two and three spatial dimensions are discussed as well as those of colloidal systems with quenched point impurities. Hard and soft discs in external periodic (light-) fields show rich phase diagrams including freezing and melting transitions when the density of the syst…
Magneto-Structural Properties and Theoretical Studies of a Family of Simple Heterodinuclear Phenoxide/Alkoxide Bridged MnIIILnIII Complexes : On the …
2018
A family of MnIIILnIII strictly dinuclear complexes of general formula [MnIII(μ-L)(μ-OMe)(NO3)LnIII(NO3)2(MeOH)] (LnIII = Gd, Dy, Er, Ho) has been assembled in a one pot synthesis from a polydentate, multipocket aminobis(phenol)ligand [6,6'-{(2-(1-morpholyl)ethylazanediyl)bis(methylene)}bis(2-methoxy-4-methylphenol)], Mn(NO3)2·4H2O, Ln(NO3)3· nH2O, and NEt3 in MeOH. These compounds represent the first examples of fully structurally and magnetically characterized dinuclear MnIIILnIII complexes. Single X-ray diffraction studies reveal that all complexes are isostructural, consisting of neutral dinuclear molecules where the MnIII and LnIII metal ions, which exhibit distorted octahedral MnN2O4 …