Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations

DOI10.1007/S00466-017-1389-0zbMath1386.74008OpenAlexW2590203094WikidataQ113327426 ScholiaQ113327426MaRDI QIDQ1702760

Chung-Shuo Lee, Chuin-Shan Chen, Yan-Yu Chen, Chi-Hua Yu, Yu-Chuan Hsu

Publication date: 28 February 2018

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

Full work available at URL: https://doi.org/10.1007/s00466-017-1389-0

zbMATH Keywords

absorbing boundary conditionmolecular dynamics simulationtime-history kernel

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Related Items (2)

Advanced absorbing boundaries for elastodynamic finite element analysis: the added degree of freedom method ⋮ On the asymptotic behavior of the kernel function in the generalized Langevin equation: a one-dimensional lattice model

Cites Work

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• A pseudo-spectral multiscale method: interfacial conditions and coarse grid equations
• Matching boundary conditions for lattice dynamics
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations

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