Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition
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Publication:2378060
DOI10.1016/J.JCP.2008.08.010zbMATH Open1156.82020OpenAlexW2023918392MaRDI QIDQ2378060FDOQ2378060
Authors: 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
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Cites Work
- Nonequilibrium statistical mechanics
- Transport, Collective Motion, and Brownian Motion
- Solid state physics.
- Dislocations and Cracks in Anisotropic Elasticity
- Title not available (Why is that?)
- A dynamic atomistic--continuum method for the simulation of crystalline materials
- A phonon heat bath approach for the atomistic and multiscale simulation of solids
- A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations
- Title not available (Why is that?)
- Optimal prediction with memory
- Optimal prediction and the Mori–Zwanzig representation of irreversible processes
- Optimal prediction of underresolved dynamics
- Molecular dynamics boundary conditions for regular crystal lattices
- Title not available (Why is that?)
- Cauchy-Born rule and the stability of crystalline solids: dynamic problems
- Problem reduction, renormalization, and memory
- Numerical modeling of crack growth under dynamic loading conditions
- On the stability of boundary conditions for molecular dynamics
- Method for Finding the Density Expansion of Transport Coefficients of Gases
Cited In (11)
- Title not available (Why is that?)
- Traction boundary conditions for molecular static simulations
- Stable absorbing boundary conditions for molecular dynamics in general domains
- Numerical validation of a constraints-based multiscale simulation method for solids
- On the stability of boundary conditions for molecular dynamics
- Some Remarks on Preconditioning Molecular Dynamics
- A coarse-grained molecular dynamics model for crystalline solids
- Coarse-graining molecular dynamics models using an extended Galerkin projection method
- A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks
- Molecular dynamics boundary conditions for regular crystal lattices
- Comparison of several staggered atomistic-to-continuum concurrent coupling strategies
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