Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition

DOI10.1016/j.jcp.2008.08.010zbMath1156.82020OpenAlexW2023918392MaRDI QIDQ2378060

Xiantao Li

Publication date: 6 January 2009

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

Full work available at URL: https://doi.org/10.1016/j.jcp.2008.08.010

zbMATH Keywords

boundary conditionscrystalline solidsmolecular dynamicslattice Green's function

Mathematics Subject Classification ID

Related Items (7)

A coarse‐grained molecular dynamics model for crystalline solids ⋮ Stable absorbing boundary conditions for molecular dynamics in general domains ⋮ Comparison of several staggered atomistic-to-continuum concurrent coupling strategies ⋮ Coarse-graining molecular dynamics models using an extended Galerkin projection method ⋮ Numerical validation of a constraints-based multiscale simulation method for solids ⋮ A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks ⋮ On the stability of boundary conditions for molecular dynamics

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