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

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)

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

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