Peridynamic State-Based Models and the Embedded-Atom Model

P Seleson and ML Parks and M Gunzburger, COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 15, 179-205 (2014).

DOI: 10.4208/cicp.081211.300413a

We investigate connections between nonlocal continuum models and molecular 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 material models, 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.

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