Search results for " computational"
showing 10 items of 661 documents
Three-state quantum systems: A procedure for the solution
1989
An iterative method to obtain a solution of the differential equation $$i\dot a = \hat H(t)a$$ , with Ĥ a 3×3 Hermitian matrix anda the unknown vector, is proposed. The procedure is particularly suitable for computer implementation and, as an example, has been applied to find the excitation probability of a three-level atom after the synchronous passage of two laser pulses each almost resonant with a pair of atomic levels.
Generalized Langevin dynamics: construction and numerical integration of non-Markovian particle-based models.
2018
We propose a generalized Langevin dynamics (GLD) technique to construct non-Markovian particle-based coarse-grained models from fine-grained reference simulations and to efficiently integrate them. The proposed GLD model has the form of a discretized generalized Langevin equation with distance-dependent two-particle contributions to the self- and pair-memory kernels. The memory kernels are iteratively reconstructed from the dynamical correlation functions of an underlying fine-grained system. We develop a simulation algorithm for this class of non-Markovian models that scales linearly with the number of coarse-grained particles. Our GLD method is suitable for coarse-grained studies of syste…
Partially Implicit Runge-Kutta Methods for Wave-Like Equations
2014
Runge-Kutta methods are used to integrate in time systems of differential equations. Implicit methods are designed to overcome numerical instabilities appearing during the evolution of a system of equations. We will present partially implicit Runge-Kutta methods for a particular structure of equations, generalization of a wave equation; the partially implicit term refers to this structure, where the implicit term appears only in a subset of the system of equations. These methods do not require any inversion of operators and the computational costs are similar to those of explicit Runge-Kutta methods. Partially implicit Runge-Kutta methods are derived up to third-order of convergence. We ana…
Generalized distance-squared mappings of the plane into the plane
2016
Abstract We define generalized distance-squared mappings, and we concentrate on the plane to plane case. We classify generalized distance-squared mappings of the plane into the plane in a recognizable way.
Variational multiframe restoration of images degraded by noisy (stochastic) blur kernels
2013
This article introduces and explores a class of degradation models in which an image is blurred by a noisy (stochastic) point spread function (PSF). The aim is to restore a sharper and cleaner image from the degraded one. Due to the highly ill-posed nature of the problem, we propose to recover the image given a sequence of several observed degraded images or multiframes. Thus we adopt the idea of the multiframe approach introduced for image super-resolution, which reduces distortions appearing in the degraded images. Moreover, we formulate variational minimization problems with the robust (local or nonlocal) L^1 edge-preserving regularizing energy functionals, unlike prior works dealing wit…
A reliable incremental method of computing the limit load in deformation plasticity based on compliance : Continuous and discrete setting
2016
The aim of this paper is to introduce an enhanced incremental procedure that can be used for the numerical evaluation and reliable estimation of the limit load. A conventional incremental method of limit analysis is based on parametrization of the respective variational formulation by the loading parameter ? ? ( 0 , ? l i m ) , where ? l i m is generally unknown. The enhanced incremental procedure is operated in terms of an inverse mapping ? : α ? ? where the parameter α belongs to ( 0 , + ∞ ) and its physical meaning is work of applied forces at the equilibrium state. The function ? is continuous, nondecreasing and its values tend to ? l i m as α ? + ∞ . Reduction of the problem to a finit…
Adjoint-based inversion for porosity in shallow reservoirs using pseudo-transient solvers for non-linear hydro-mechanical processes
2020
Abstract Porous flow is of major importance in the shallow subsurface, since it directly impacts on reservoir-scale processes such as waste fluid sequestration or oil and gas exploration. Coupled and non-linear hydro-mechanical processes describe the motion of a low-viscous fluid interacting with a higher viscous porous rock matrix. This two-phase flow may trigger the initiation of solitary waves of porosity, further developing into vertical high-porosity pipes or chimneys. These preferred fluid escape features may lead to localised and fast vertical flow pathways potentially problematic in the case of for instance CO2 sequestration. Constraining the porosity and the non-linearly related pe…
Tridiagonal preconditioning for Poisson-like difference equations with flat grids: Application to incompressible atmospheric flow
2011
AbstractThe convergence of many iterative procedures, in particular that of the conjugate gradient method, strongly depends on the condition number of the linear system to be solved. In cases with a large condition number, therefore, preconditioning is often used to transform the system into an equivalent one, with a smaller condition number and therefore faster convergence. For Poisson-like difference equations with flat grids, the vertical part of the difference operator is dominant and tridiagonal and can be used for preconditioning. Such a procedure has been applied to incompressible atmospheric flows to preserve incompressibility, where a system of Poisson-like difference equations is …
Intergranular damage and fracture in polycrystalline materials. A novel 3D microstructural grain-boundary formulation
2013
The design of advanced materials requires a deep understanding of degradation and failure pro- cesses. It is widely recognized that the macroscopic material properties depend on the features of the microstructure. The knowledge of this link, which is the main subject of Micromechanics [1], is of relevant technological interest, as it may enable the design of materials with specific requirements by means of suitable manipulations of the microstructure. Polycrystalline materials are used in many technological applications. Their microstructure is characterized by the grains morphology, size distribution, anisotropy, crystallographic orientation, stiffness and toughness mismatch and by the phy…
Non-separable local polynomial regression cell-average multiresolution operators. Application to compression of images
2016
Abstract Cell-average multiresolution Harten׳s algorithms have been satisfactorily used to compress data. These schemes are based on two operators: decimation and prediction. The accuracy of the method depends on the prediction operator. In order to design a precise function, local polynomial regression has been used in the last years. This paper is devoted to construct a family of non-separable two-dimensional linear prediction operators approximating the real values with this procedure. Some properties are proved as the order of the scheme and the stability. Some numerical experiments are performed comparing the new methods with the classical linear method.