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 …
multiscale method with sharp interface in molecular mechanics, namely the geometric …
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 …
of materials with defects, intending to achieve the (quasi-) optimal balance of accuracy and …
Incompleteness of Sinclair-type continuum flexible boundary conditions for atomistic fracture simulations
J Braun, M Buze - arXiv preprint arXiv:2403.05462, 2024 - arxiv.org
The elastic field around a crack opening is known to be described by continuum linearised
elasticity in leading order. In this work, we explicitly develop the next term in the atomistic …
elasticity in leading order. In this work, we explicitly develop the next term in the atomistic …
Efficient a posteriori error control of a consistent atomistic/continuum coupling method for two dimensional crystalline defects
Y Wang, H Wang - arXiv preprint arXiv:2211.14143, 2022 - arxiv.org
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 …
simulation of material and atomistic systems with defects to achieve the balance of accuracy …
Surrogate models for vibrational entropy based on a spatial decomposition
The temperature-dependent behavior of defect densities within a crystalline structure is
intricately linked to the phenomenon of vibrational entropy. Traditional methods for …
intricately linked to the phenomenon of vibrational entropy. Traditional methods for …
MeshAC: A 3D Mesh Generation and Adaptation Package for Multiscale Coupling Methods
K Fu, M Liao, Y Wang, J Chen, L Zhang - arXiv preprint arXiv:2402.09446, 2024 - arxiv.org
This paper introduces the MeshAC package, which generates three-dimensional adaptive
meshes tailored for the efficient and robust implementation of multiscale coupling methods …
meshes tailored for the efficient and robust implementation of multiscale coupling methods …
Elastic far-field decay from dislocations in multilattices
We precisely and rigorously characterize the decay of elastic fields generated by
dislocations in crystalline materials, focusing specifically on the role of multilattices …
dislocations in crystalline materials, focusing specifically on the role of multilattices …
Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics
In this paper, we present an efficient adaptive multigrid strategy for the geometry
optimization of large-scale three dimensional molecular mechanics. The resulting method …
optimization of large-scale three dimensional molecular mechanics. The resulting method …