A quasi-nonlocal coupling method for nonlocal and local diffusion models

Q Du, XH Li, J Lu, X Tian - SIAM Journal on Numerical Analysis, 2018 - SIAM
In this paper, we extend the idea of “geometric reconstruction” to couple a nonlocal diffusion
model directly with the classical local diffusion in one dimensional space. This new coupling …

Qm/mm methods for crystalline defects. part 3: machine-learned mm models

H Chen, C Ortner, Y Wang - Multiscale Modeling & Simulation, 2022 - SIAM
We develop and analyze a framework for consistent QM/MM (quantum/classic) hybrid
models of crystalline defects, which admits general atomistic interactions including …

Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects

Y Wang, H Wang - Journal of Scientific Computing, 2023 - Springer
We present an efficient a posteriori error control strategy for an energy-based concurrent
multiscale method with sharp interface in molecular mechanics, namely the geometric …

Atomistic/continuum blending with ghost force correction

C Ortner, L Zhang - SIAM Journal on Scientific Computing, 2016 - SIAM
We combine the ideas of atomistic/continuum energy blending and ghost force correction to
obtain an energy-based atomistic/continuum coupling scheme which has, for a range of …

Efficient lattice Green's function method for bounded domain problems

A Gupta, M Hodapp, WA Curtin - International Journal for …, 2022 - Wiley Online Library
The lattice Green's function method (LGFM) is the discrete counterpart of the continuum
boundary element method and is a natural approach for solving intrinsically discrete solid …

An energy-based ghost-force-free multivariate coupling scheme for bond-based peridynamics and classical continuum mechanics

F Jiang, Y Shen, JB Cheng - Engineering Fracture Mechanics, 2020 - Elsevier
In this work, we propose a novel energy-based multivariate coupling method for
peridynamics and classical continuum mechanics (CCM) models to fully take advantage of …

MeshAC: A 3D Mesh Generation and Adaptation Package for Multiscale Coupling Methods

K Fu, M Liao, Y Wang, J Chen, L Zhang - Computer Physics …, 2025 - Elsevier
This paper introduces the MeshAC package, which generates three-dimensional adaptive
meshes tailored for the efficient and robust implementation of multiscale coupling methods …

Adaptive Multiscale Coupling Methods of Molecular Mechanics based on a Unified Framework of a Posteriori Error Estimates

H Wang, Y Wang - arxiv preprint arxiv:2309.13255, 2023 - arxiv.org
Multiscale coupling methods are significant methodologies for the modeling and simulation
of materials with defects, intending to achieve the (quasi-) optimal balance of accuracy and …

Lattice Green function methods for atomistic/continuum coupling: Theory and data-sparse implementation

M Hodapp, G Anciaux, WA Curtin - Computer Methods in Applied …, 2019 - Elsevier
Flexible harmonic boundary conditions have been proposed by Sinclair in the 1970s in
order to overcome spurious effects on atomistic problems due to fixed boundaries. To date …

A posteriori error estimation and adaptive algorithm for atomistic/continuum coupling in two dimensions

H Wang, M Liao, P Lin, L Zhang - SIAM Journal on Scientific Computing, 2018 - SIAM
Atomistic/continuum coupling methods aim to achieve optimal balance between accuracy
and efficiency. Adaptivity is the key for the efficient implementation of such methods. In this …