Abstract
We investigate connections between nonlocal continuummodels andmolecular dynamics. A continuous upscaling of molecular dynamics models of the form of the embedded-atom model is presented, providing means for simulating molecular dynamics systems at greatly reduced cost. Results are presented for structured and structureless materialmodels, supported by computational experiments. The nonlocal continuum models are shown to be instances of the state-based peridynamics theory. Connections relating multibody peridynamic models and upscaled nonlocal continuum models are derived.
| Original language | English |
|---|---|
| Pages (from-to) | 179-205 |
| Number of pages | 27 |
| Journal | Communications in Computational Physics |
| Volume | 15 |
| Issue number | 1 |
| DOIs | |
| State | Published - Jan 2014 |
| Externally published | Yes |
Keywords
- Embedded-atom
- Molecular dynamics
- Multibody potentials
- Peridynamics