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Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels

Emilio Silva, Clemens Först, Ju Li, Xi Lin, Ting Zhu, Sidney Yip (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

Although the intellectual merits of computational modelling across various length and time scales are generally well accepted, good illustrative examples are often lacking. One way to begin appreciating the benefits of the multiscale approach is to first gain experience in probing complex physical phenomena at one scale at a time. Here we discuss materials modelling at two characteristic scales separately, the atomistic level where interactions are specified through classical potentials and the...

Numerical analysis of a frictionless viscoelastic piezoelectric contact problem

Mikael Barboteu, Jose Ramon Fernández, Youssef Ouafik (2008)

ESAIM: Mathematical Modelling and Numerical Analysis

In this work, we consider the quasistatic frictionless contact problem between a viscoelastic piezoelectric body and a deformable obstacle. The linear electro-viscoelastic constitutive law is employed to model the piezoelectric material and the normal compliance condition is used to model the contact. The variational formulation is derived in a form of a coupled system for the displacement and electric potential fields. An existence and uniqueness result is recalled. Then, a fully discrete scheme...

Numerical analysis of a Stokes interface problem based on formulation using the characteristic function

Yoshiki Sugitani (2017)

Applications of Mathematics

Numerical analysis of a model Stokes interface problem with the homogeneous Dirichlet boundary condition is considered. The interface condition is interpreted as an additional singular force field to the Stokes equations using the characteristic function. The finite element method is applied after introducing a regularization of the singular source term. Consequently, the error is divided into the regularization and discretization parts which are studied separately. As a result, error estimates...

Numerical analysis of the quasistatic thermoviscoelastic thermistor problem

José R. Fernández (2006)

ESAIM: Mathematical Modelling and Numerical Analysis

In this work, the quasistatic thermoviscoelastic thermistor problem is considered. The thermistor model describes the combination of the effects due to the heat, electrical current conduction and Joule's heat generation. The variational formulation leads to a coupled system of nonlinear variational equations for which the existence of a weak solution is recalled. Then, a fully discrete algorithm is introduced based on the finite element method to approximate the spatial variable and an Euler scheme...

Numerical approaches to rate-independent processes and applications in inelasticity

Alexander Mielke, Tomáš Roubíček (2009)

ESAIM: Mathematical Modelling and Numerical Analysis

A conceptual numerical strategy for rate-independent processes in the energetic formulation is proposed and its convergence is proved under various rather mild data qualifications. The novelty is that we obtain convergence of subsequences of space-time discretizations even in case where the limit problem does not have a unique solution and we need no additional assumptions on higher regularity of the limit solution. The variety of general perspectives thus obtained is illustrated on several...

Numerical approximation of dynamic deformations of a thermoviscoelastic rod against an elastic obstacle

Maria I. M. Copetti (2004)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

In this paper we consider a hyperbolic-parabolic problem that models the longitudinal deformations of a thermoviscoelastic rod supported unilaterally by an elastic obstacle. The existence and uniqueness of a strong solution is shown. A finite element approximation is proposed and its convergence is proved. Numerical experiments are reported.

Numerical approximation of dynamic deformations of a thermoviscoelastic rod against an elastic obstacle

Maria I.M. Copetti (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

In this paper we consider a hyperbolic-parabolic problem that models the longitudinal deformations of a thermoviscoelastic rod supported unilaterally by an elastic obstacle. The existence and uniqueness of a strong solution is shown. A finite element approximation is proposed and its convergence is proved. Numerical experiments are reported.

Numerical approximation of flow in a symmetric channel with vibrating walls

Sváček, Petr, Horáček, Jaromír (2010)

Programs and Algorithms of Numerical Mathematics

In this paper the numerical solution of two dimensional fluid-structure interaction problem is addressed. The fluid motion is modelled by the incompressible unsteady Navier-Stokes equations. The spatial discretization by stabilized finite element method is used. The motion of the computational domain is treated with the aid of Arbitrary Lagrangian Eulerian (ALE) method. The time-space problem is solved with the aid of multigrid method. The method is applied onto a problem of interaction of channel...

Numerical model of a pine in a wind

Jan Korbelář, Drahoslava Janovská (1999)

Applications of Mathematics

Steady-state nonlinear differential equations govering the stem curve of a wind-loaded pine are derived and solved numerically. Comparison is made between the results computed and the data from photographs of a pine stem during strong wind. The pine breaking is solved at the end.

Numerical simulation of a pulsatile flow through a flexible channel

Cornel Marius Murea (2006)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

An algorithm for approximation of an unsteady fluid-structure interaction problem is proposed. The fluid is governed by the Navier-Stokes equations with boundary conditions on pressure, while for the structure a particular plate model is used. The algorithm is based on the modal decomposition and the Newmark Method for the structure and on the Arbitrary lagrangian Eulerian coordinates and the Finite Element Method for the fluid. In this paper, the continuity of the stresses at the interface was...

Numerical simulation of a pulsatile flow through a flexible channel

Cornel Marius Murea (2007)

ESAIM: Mathematical Modelling and Numerical Analysis

An algorithm for approximation of an unsteady fluid-structure interaction problem is proposed. The fluid is governed by the Navier-Stokes equations with boundary conditions on pressure, while for the structure a particular plate model is used. The algorithm is based on the modal decomposition and the Newmark Method for the structure and on the Arbitrary Lagrangian Eulerian coordinates and the Finite Element Method for the fluid. In this paper, the continuity of the stresses at the interface...

Numerical simulation of flow induced airfoil vibrations with large amplitudes

Winter, Ondřej, Sváček, Petr (2019)

Programs and Algorithms of Numerical Mathematics

This paper is interested with the numerical simulation of the fluid-structure interaction problem realized with the aid of the OpenFOAM package. The case of flow past oscillating NACA 0012 profile was chosen. The loose, strong and combined strong coupling algorithms were tested. The results are presented and a significant improvement of the combined coupling algorithm is shown.

Numerical simulation of gluey particles

Aline Lefebvre (2009)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

We propose here a model and a numerical scheme to compute the motion of rigid particles interacting through the lubrication force. In the case of a particle approaching a plane, we propose an algorithm and prove its convergence towards the solutions to the gluey particle model described in [B. Maury, ESAIM: Proceedings 18 (2007) 133–142]. We propose a multi-particle version of this gluey model which is based on the projection of the velocities onto a set of admissible velocities. Then, we describe...

Numerical simulation of gluey particles

Aline Lefebvre (2008)

ESAIM: Mathematical Modelling and Numerical Analysis

We propose here a model and a numerical scheme to compute the motion of rigid particles interacting through the lubrication force. In the case of a particle approaching a plane, we propose an algorithm and prove its convergence towards the solutions to the gluey particle model described in [B. Maury, ESAIM: Proceedings18 (2007) 133–142]. We propose a multi-particle version of this gluey model which is based on the projection of the velocities onto a set of admissible velocities. Then, we describe...

Numerical solution of the Kiessl model

Josef Dalík, Josef Daněček, Jiří Vala (2000)

Applications of Mathematics

The Kiessl model of moisture and heat transfer in generally nonhomogeneous porous materials is analyzed. A weak formulation of the problem of propagation of the state parameters of this model, which are so-called moisture potential and temperature, is derived. An application of the method of discretization in time leads to a system of boundary-value problems for coupled pairs of nonlinear second order ODE’s. Some existence and regularity results for these problems are proved and an efficient numerical...

On a 1-D model of stress relaxation in an annealed glass

Vladimír Janovský, David Just (2002)

Applications of Mathematics

A 1-D model of a slab of glass of a small thickness is considered. The governing equations are those of the classical 1-D linear viscoelasticity. A load due to the temperature gradients is assumed. The aim is to model the process called annealing. It is shown that an additional load due to structural strain is crucial for the success of the model. Algorithms of a numerical solution of the governing equations are proposed. Numerical results are presented and commented.

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