Related papers: A Posteriori Error Estimation and Adaptive Algorit…
Adaptive atomistic/continuum (a/c) coupling method is an important method for the simulation of material and atomistic systems with defects to achieve the balance of accuracy and efficiency. Residual based a posteriori error estimator is…
In this paper, we develop the residual based a posteriori error estimates and the corresponding adaptive mesh refinement algorithm for atomistic/continuum (a/c) coupling with finite range interactions in two dimensions. We have…
We consider a 1D periodic atomistic model, for which we formulate and analyze an adaptive variant of a quasicontinuum method. We establish a posteriori error estimates for the energy norm and for the energy, based on a posteriori residual…
We consider the a posteriori error estimation for an atomistic-to-continuum cou- pling scheme for a generic one-dimensional many-body next-nearest-neighbour interaction model in 1D. We derive and rigorously prove the efficiency of the…
The efficient and accurate simulation of material systems with defects using atomistic- to-continuum (a/c) coupling methods is a topic of considerable interest in the field of computational materials science. To achieve the desired balance…
Hybrid quantum/molecular mechanics models (QM/MM methods) are widely used in material and molecular simulations when MM models do not provide sufficient accuracy but pure QM models are computationally prohibitive. Adaptive QM/MM coupling…
Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the…
We present a posteriori error estimates for a recently developed atomistic/continuum coupling method, the Consistent Energy-Based QC Coupling method. The error estimate of the deformation gradient combines a residual estimate and an a…
This paper introduces an explicit residual-based a posteriori error analysis for the symmetric mixed finite element method in linear elasticity after Arnold-Winther with pointwise symmetric and H(div)-conforming stress approximation.…
We present a new variant of the geometry reconstruction approach for the formulation of atomistic/continuum coupling methods (a/c methods). For multi-body nearest-neighbour interactions on the 2D triangular lattice, we show that patch test…
We present a comprehensive a priori error analysis of a practical energy based atomistic/continuum coupling method (Shapeev, arXiv:1010.0512) in two dimensions, for finite-range pair-potential interactions, in the presence of vacancy…
An element based adaptation method is developed for an anisotropic a posteriori error estimator. The adaptation does not make use of a metric, but instead equidistributes the error over elements using local mesh modifications. Numerical…
Adaptive quasicontinuum (QC) methods are important methodologies in molecular mechanics for the simulations of materials with defects, intending to achieve the optimal balance of accuracy and efficiency on the fly. In this study, we propose…
QM (quantum mechenics) and MM (molecular mechenics) coupling methods are widely used in simulations of crystalline defects. In this paper, we construct a residual based a posteriori error indicator for QM/MM coupling approximations. We…
This paper reviews the state of the art and discusses very recent mathematical developments in the field of adaptive boundary element methods. This includes an overview of available a posteriori error estimates as well as a state-of-the-art…
Adaptive Finite Element Method (adaptivity) is known to be an effective numerical tool for some ill-posed problems. The key advantage of the adaptivity is the image improvement with local mesh refinements. A rigorous proof of this property…
This article investigates residual a posteriori error estimates and adaptive mesh refinements for time-dependent boundary element methods for the wave equation. We obtain reliable estimates for Dirichlet and acoustic boundary conditions…
In the present paper we initiate the challenging task of building a mathematically sound theory for Adaptive Virtual Element Methods (AVEMs). Among the realm of polygonal meshes, we restrict our analysis to triangular meshes with hanging…
In this paper we develop a new a posteriori error analysis for the Monge-Amp\`ere equation approximated by conforming finite element method on isotropic meshes in 2D. The approach utilizes a slight variant of the mixed discretization…
A posteriori error estimators for the symmetric mixed finite element methods for linear elasticity problems of Dirichlet and mixed boundary conditions are proposed. Stability and efficiency of the estimators are proved. Finally, we provide…