DeepAI AI Chat
Log In Sign Up

Computing Arlequin coupling coefficient for concurrent FE-MD approaches

by   Wenzhe Shan, et al.

Arlequin coupling coefficient is essential for concurrent FE-MD models with overlapping domains, but the calculation of its value is quite difficult when the geometry of the coupling region is complicated. In this work, we introduce a general procedure for the preprocessing of a concurrent FE-MD model, given that the mesh and atoms have already been created. The procedure is independent of the geometry of the coupling region and can be used for both 2D and 3D problems. The procedure includes steps of determining the relative positions of atoms inside the FE elements in the coupling region, as well as computing the Arlequin coupling coefficient for an arbitrary point inside the coupling region or on its boundary. Two approaches are provided for determining the coefficient: the direct approach and the temperature approach.


page 8

page 12

page 13


A novel hierarchical multiresolution framework using CutFEM

In this paper, we propose a robust concurrent multiscale method for cont...

An Asymptotically Compatible Formulation for Local-to-Nonlocal Coupling Problems without Overlapping Regions

In this paper we design and analyze an explicit partitioned procedure fo...

On the Theoretical Foundation of Overset Grid Methods for Hyperbolic Problems: Well-Posedness and Conservation

We use the energy method to study the well-posedness of initial-boundary...

Coupling approaches for classical linear elasticity and bond-based peridynamic models

Local-nonlocal coupling approaches provide a means to combine the comput...

A note on faithful coupling of Markov chains

One often needs to turn a coupling (X_i, Y_i)_i≥ 0 of a Markov chain int...

Variational Coupling Revisited: Simpler Models, Theoretical Connections, and Novel Applications

Variational models with coupling terms are becoming increasingly popular...

Multidimensional coupling: A variationally consistent approach to fiber-reinforced materials

A novel mathematical model for fiber-reinforced materials is proposed. I...