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An analysis of the boundary layer in the 1D surface Cauchy–Born model

Kavinda Jayawardana, Christelle Mordacq, Christoph Ortner, Harold S. Park (2013)

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

The surface Cauchy–Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a linearized 1D model we show that the error committed by the SCB method is 𝒪(1) in the mesh size; however, we are able to identify an alternative “approximation parameter” – the stiffness of the interaction potential – with respect to which the relative error...

An analysis of the boundary layer in the 1D surface Cauchy–Born model∗

Kavinda Jayawardana, Christelle Mordacq, Christoph Ortner, Harold S. Park (2012)

ESAIM: Mathematical Modelling and Numerical Analysis

The surface Cauchy–Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a linearized 1D model we show that the error committed by the SCB method is 𝒪(1) in the mesh size; however, we are able to identify an alternative “approximation parameter” – the stiffness of the interaction potential – with respect to which the relative error...

An analysis of the effect of ghost force oscillation on quasicontinuum error

Matthew Dobson, Mitchell Luskin (2009)

ESAIM: Mathematical Modelling and Numerical Analysis

The atomistic to continuum interface for quasicontinuum energies exhibits nonzero forces under uniform strain that have been called ghost forces. In this paper, we prove for a linearization of a one-dimensional quasicontinuum energy around a uniform strain that the effect of the ghost forces on the displacement nearly cancels and has a small effect on the error away from the interface. We give optimal order error estimates that show that the quasicontinuum displacement converges to the atomistic...

Analysis of a force-based quasicontinuum approximation

Matthew Dobson, Mitchell Luskin (2008)

ESAIM: Mathematical Modelling and Numerical Analysis

We analyze a force-based quasicontinuum approximation to a one-dimensional system of atoms that interact by a classical atomistic potential. This force-based quasicontinuum approximation can be derived as the modification of an energy-based quasicontinuum approximation by the addition of nonconservative forces to correct nonphysical “ghost” forces that occur in the atomistic to continuum interface during constant strain. The algorithmic simplicity and consistency with the purely atomistic model at...

Analysis of a quasicontinuum method in one dimension

Christoph Ortner, Endre Süli (2008)

ESAIM: Mathematical Modelling and Numerical Analysis

The quasicontinuum method is a coarse-graining technique for reducing the complexity of atomistic simulations in a static and quasistatic setting. In this paper we aim to give a detailed a priori and a posteriori error analysis for a quasicontinuum method in one dimension. We consider atomistic models with Lennard–Jones type long-range interactions and a QC formulation which incorporates several important aspects of practical QC methods. First, we prove the existence, the local uniqueness...

Dynamical systems with Newtonian type potentials

Marco Degiovanni, Fabio Giannoni, Antonio Marino (1987)

Atti della Accademia Nazionale dei Lincei. Classe di Scienze Fisiche, Matematiche e Naturali. Rendiconti Lincei. Matematica e Applicazioni

We study the existence of regular periodic solutions to some dynamical systems whose potential energy is negative, has only a singular point and goes to zero at iniìnity. We give sufficient conditions to the existence of periodic solutions of assigned period which do not meet the singularity.

La réception de la statique graphique en France durant le dernier tiers du XIXe siècle

Konstantinos Chatzis (2004)

Revue d'histoire des mathématiques

Communément associée au nom de l’ingénieur allemand Carl Culmann, la statique graphique a failli, en fait, naître à plusieurs reprises en France. En avance dans un premier temps, les savants et ingénieurs français vont pourtant « rater » l’occasion de devenir les véritables créateurs de cette méthode de calcul graphique. Élaborée pour l’essentiel en dehors de l’Hexagone, la statique graphique va se diffuser en France durant le dernier tiers du xixe siècle comme un produit d’importation et avec un...

On the stability of Bravais lattices and their Cauchy–Born approximations

Thomas Hudson, Christoph Ortner (2012)

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

We investigate the stability of Bravais lattices and their Cauchy–Born approximations under periodic perturbations. We formulate a general interaction law and derive its Cauchy–Born continuum limit. We then analyze the atomistic and Cauchy–Born stability regions, that is, the sets of all matrices that describe a stable Bravais lattice in the atomistic and Cauchy–Born models respectively. Motivated by recent results in one dimension on the stability of atomistic/continuum coupling methods, we analyze...

On the stability of Bravais lattices and their Cauchy–Born approximations*

Thomas Hudson, Christoph Ortner (2011)

ESAIM: Mathematical Modelling and Numerical Analysis

We investigate the stability of Bravais lattices and their Cauchy–Born approximations under periodic perturbations. We formulate a general interaction law and derive its Cauchy–Born continuum limit. We then analyze the atomistic and Cauchy–Born stability regions, that is, the sets of all matrices that describe a stable Bravais lattice in the atomistic and Cauchy–Born models respectively. Motivated by recent results in one dimension on the stability of atomistic/continuum coupling methods,...

The role of the patch test in 2D atomistic-to-continuum coupling methods∗

Christoph Ortner (2012)

ESAIM: Mathematical Modelling and Numerical Analysis

For a general class of atomistic-to-continuum coupling methods, coupling multi-body interatomic potentials with a P1-finite element discretisation of Cauchy–Born nonlinear elasticity, this paper adresses the question whether patch test consistency (or, absence of ghost forces) implies a first-order error estimate. In two dimensions it is shown that this is indeed true under the following additional technical assumptions: (i) an energy consistency condition, (ii) locality of the interface correction,...

The role of the patch test in 2D atomistic-to-continuum coupling methods∗

Christoph Ortner (2012)

ESAIM: Mathematical Modelling and Numerical Analysis

For a general class of atomistic-to-continuum coupling methods, coupling multi-body interatomic potentials with a P1-finite element discretisation of Cauchy–Born nonlinear elasticity, this paper adresses the question whether patch test consistency (or, absence of ghost forces) implies a first-order error estimate. In two dimensions it is shown that this is indeed true under the following additional technical assumptions: (i) an energy consistency condition, (ii) locality of the interface correction,...

Variational formulations I: Statics of mechanical systems

Włodzimierz M. Tulczyjew (2011)

Communications in Mathematics

Two improvements of variational formulations of mechanics are proposed. The first consists in a modification of the definition of equilibrium. The second consists in adding elements of control by external devices. In the present note the proposed improvements are applied to variational principles of statics. Numerous examples are given.

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