Phonon absorbing boundary conditions for molecular dynamics

DOI10.1016/j.jcp.2009.07.033zbMath1175.82014OpenAlexW2083753536MaRDI QIDQ732957

Senganal Thirunavukkarasu, Murthy N. Guddati

Publication date: 15 October 2009

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2009.07.033

zbMATH Keywords

absorbing boundary conditionsartificial boundary conditionsperfectly matched layersatomistic-to-continuum coupling

Mathematics Subject Classification ID

Related Items (9)

Stable absorbing boundary conditions for molecular dynamics in general domains ⋮ A domain decomposition method for concurrent coupling of multiscale models ⋮ Matching boundary conditions for lattice dynamics ⋮ Artificial boundary conditions for atomic simulations of face-centered-cubic lattice ⋮ Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations ⋮ Efficiency improvement of discrete-ordinates method for interfacial phonon transport by Gauss-Legendre integral for frequency domain ⋮ Absorbing boundary conditions for time harmonic wave propagation in discretized domains ⋮ An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations ⋮ Traction boundary conditions for molecular static simulations

Cites Work

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• A bridging domain method for coupling continua with molecular dynamics
• Non-reflecting boundary conditions
• A perfectly matched layer for the absorption of electromagnetic waves
• Origin of crack tip instabilities
• Stability of perfectly matched layers, group velocities and anisotropic waves.
• Bridging scale methods for nanomechanics and materials
• Arbitrarily wide-angle wave equations for complex media
• Continued fraction absorbing boundary conditions for convex polygonal domains
• Radiation boundary conditions for acoustic and elastic wave calculations
• 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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