Phonon absorbing boundary conditions for molecular dynamics

DOI10.1016/J.JCP.2009.07.033MaRDI QIDQ732957zbMATH OpenOpenAlexFDO

Authors Murthy N. Guddati, Senganal Thirunavukkarasu

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 conditionsperfectly matched layersatomistic-to-continuum couplingartificial boundary conditions

Mathematics Subject Classification ID

Theories of fracture and damage (74A45) Atomic physics (81V45) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20)

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Cites work

• scientific article; zbMATH DE number 5719287 (Why is no real title available?)
• scientific article; zbMATH DE number 2042291 (Why is no real title available?)
• scientific article; zbMATH DE number 6733683 (Why is no real title available?)
• scientific article; zbMATH DE number 3080477 (Why is no real title available?)
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations
• A bridging domain method for coupling continua with molecular dynamics
• A perfectly matched layer for the absorption of electromagnetic waves
• Arbitrarily wide-angle wave equations for complex media
• Bridging scale methods for nanomechanics and materials
• Continued fraction absorbing boundary conditions for convex polygonal domains
• Non-reflecting boundary conditions
• Non-reflecting boundary conditions for atomistic, continuum and coupled atomistic/continuum simulations
• Origin of crack tip instabilities
• Radiation boundary conditions for acoustic and elastic wave calculations
• Stability of perfectly matched layers, group velocities and anisotropic waves.

Cited in

(14)

• Kawashima condition for a hyperbolic moment model of phonon hydrodynamics
• Matching boundary conditions for lattice dynamics
• scientific article; zbMATH DE number 5176946 (Why is no real title available?)
• Stable absorbing boundary conditions for molecular dynamics in general domains
• Soft phonon theorems
• A domain decomposition method for concurrent coupling of multiscale models
• Molecular dynamics simulations of sound wave propagation in a gas and thermo-acoustic effects on a carbon nanotube
• Artificial boundary conditions for atomic simulations of face-centered-cubic lattice
• Efficiency improvement of discrete-ordinates method for interfacial phonon transport by Gauss-Legendre integral for frequency domain
• An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations
• Absorbing boundary conditions for time harmonic wave propagation in discretized domains
• Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations
• Equilibrium states for interactions with acoustic phonons
• Traction boundary conditions for molecular static simulations

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