Stable absorbing boundary conditions for molecular dynamics in general domains

DOI10.1007/s00466-018-1562-0zbMath1469.74005arXiv1710.09520OpenAlexW2963369223WikidataQ113327267 ScholiaQ113327267MaRDI QIDQ1628726

Xiaojie Wu, Xiantao Li

Publication date: 5 December 2018

Published in: Computational Mechanics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1710.09520

zbMATH Keywords

Laplace transformwave propagationabsorbing boundary conditionDirichlet-to-Neumann mapapproximated kernel function

Mathematics Subject Classification ID

Numerical and other methods in solid mechanics (74S99) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (2)

Accurate absorbing boundary conditions for two-dimensional peridynamics ⋮ The enriched degree of freedom method for the absorbing boundary and its application to XFEM in elastodynamic problems

Cites Work

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• An atomistic-based boundary element method for the reduction of molecular statics models
• Nonreflecting boundary conditions for the time-dependent wave equation
• Molecular dynamics boundary conditions for regular crystal lattices
• Matching boundary conditions for diatomic chains
• Phonon absorbing boundary conditions for molecular dynamics
• A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks
• On the construction and analysis of absorbing layers in CEM
• On the implementation of the Dirichlet-to-Neumann radiation condition for iterative solution of the Helmholtz equation
• A perfectly matched layer for the absorption of electromagnetic waves
• A mathematical analysis of the PML method
• Stability of perfectly matched layers, group velocities and anisotropic waves.
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Fast evaluation of nonreflecting boundary conditions for the Schrödinger equation in one dimension
• On static analysis of finite repetitive structures by discrete Fourier transform.
• A dynamic atomistic--continuum method for the simulation of crystalline materials
• Artificial boundary conditions for atomic simulations of face-centered-cubic lattice
• Dirac and Klein-Gordon equations with equal scalar and vector potentials
• Eliminating corner effects in square lattice simulation
• On the stability of boundary conditions for molecular dynamics
• Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition
• Continued fraction absorbing boundary conditions for convex polygonal domains
• A phonon heat bath approach for the atomistic and multiscale simulation of solids
• Absorbing Boundary Conditions for the Discretization Schemes of the One-Dimensional Wave Equation
• Absorbing Boundary Conditions for the Numerical Simulation of Waves
• Radiation boundary conditions for acoustic and elastic wave calculations
• Asymptotic expansions of lattice Green's functions
• On the Long-Time Behavior of Unsplit Perfectly Matched Layers
• Efficient representation of nonreflecting boundary conditions for the time‐dependent Schrödinger equation in two dimensions
• Non-reflecting boundary conditions for atomistic, continuum and coupled atomistic/continuum simulations
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations

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