An atomistic/continuum coupling method using enriched bases
From MaRDI portal
Publication:5266243
DOI10.1137/140990644zbMATH Open1317.65224arXiv1410.2866OpenAlexW1539799916MaRDI QIDQ5266243FDOQ5266243
Authors: Jingrun Chen, Carlos J. García-Cervera, Xiantao Li 
Publication date: 30 July 2015
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
Abstract: A common observation from an atomistic to continuum coupling method is that the error is often generated and concentrated near the interface, where the two models are combined. In this paper, a new method is proposed to suppress the error at the interface, and as a consequence, the overall accuracy is improved. The method is motivated by formulating the molecular mechanics model as a two-stage minimization problem. In particular, it is demonstrated that the error at the interface can be considerably reduced when new basis functions are introduced in a Galerkin projection formalism. The improvement of the accuracy is illustrated by two examples. Further, the comparison to some quasicontinuum-type methods is provided.
Full work available at URL: https://arxiv.org/abs/1410.2866
Recommendations
- An optimization-based atomistic-to-continuum coupling method
- Construction and sharp consistency estimates for atomistic/continuum coupling methods with general interfaces: a two-dimensional model problem
- Development of an optimization-based atomistic-to-continuum coupling method
- Consistent energy-based atomistic/continuum coupling for two-body potentials in one and two dimensions
- Analysis of blended atomistic/continuum hybrid methods
Error bounds for boundary value problems involving PDEs (65N15) Dynamics of multibody systems (70E55) Numerical approximation of solutions of equilibrium problems in solid mechanics (74G15)
Cites Work
- Numerical methods for large eigenvalue problems
- Title not available (Why is that?)
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- Multi-Level Adaptive Solutions to Boundary-Value Problems
- Title not available (Why is that?)
- Principles of multiscale modeling
- Coupling of atomistic and continuum simulations using a bridging scale decomposition.
- MultiScale Modeling of Physical Phenomena: Adaptive Control of Models
- An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations
- Consistent energy-based atomistic/continuum coupling for two-body potentials in one and two dimensions
- Analysis of energy-based blended quasi-continuum approximations
- Convergence of a Force-Based Hybrid Method in Three Dimensions
- Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
- Atomistic-to-continuum coupling
- Theory-based benchmarking of the blended force-based quasicontinuum method
- The heterogeneous multiscale methods
- Stability, instability, and error of the force-based quasicontinuum approximation
- From molecular models to continuum mechanics
- An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
- Consistent energy-based atomistic/continuum coupling for two-body potentials in three dimensions
- Construction and sharp consistency estimates for atomistic/continuum coupling methods with general interfaces: a two-dimensional model problem
- An analysis of the quasicontinuum method
- On the Rates of Convergence of the Lanczos and the Block-Lanczos Methods
- An optimal order error analysis of the one-dimensional quasicontinuum approximation
- An analysis of node-based cluster summation rules in the quasicontinuum method
- Analysis of a One-Dimensional Nonlocal Quasi-Continuum Method
- Title not available (Why is that?)
- The block Lanczos method for linear systems with multiple right-hand sides
- A coarse-grained molecular dynamics model for crystalline solids
- A quadrature-rule type approximation to the quasi-continuum method
- Connecting Atomistic-to-Continuum Coupling and Domain Decomposition
- Convergence Analysis of a Quasi‐Continuum Approximation for a Two‐Dimensional Material Without Defects
- Analysis of the local quasicontinuum method
- Numerical methods for multilattices
- Error estimate of force-based quasicontinuum method
- Ghost force influence of a quasicontinuum method in two dimensions
- The effect of ghost forces for a quasicontinuum method in three dimension
- An atomistic-based boundary element method for the reduction of molecular statics models
- A priori and a posteriori \(W^{1,\infty}\) error analysis of a QC method for complex lattices
- Stability of a force-based hybrid method with planar sharp interface
- Coarse-graining molecular dynamics models using an extended Galerkin projection method
- Energy-based atomistic-to-continuum coupling without ghost forces
- A Study on the Quasi-continuum Approximations of a One-Dimensional Fracture Model
Cited In (5)
- Coupling atomistic and continuum modelling of magnetism
- An optimization-based atomistic-to-continuum coupling method
- Error analysis for momentum conservation in atomic-continuum coupled model
- Atom collocation method
- A posteriori error estimation and adaptive algorithm for atomistic/continuum coupling in two dimensions
This page was built for publication: An atomistic/continuum coupling method using enriched bases
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5266243)
