4.6 Article

Peridynamic State-Based Models and the Embedded-Atom Model

Journal

COMMUNICATIONS IN COMPUTATIONAL PHYSICS
Volume 15, Issue 1, Pages 179-205

Publisher

GLOBAL SCIENCE PRESS
DOI: 10.4208/cicp.081211.300413a

Keywords

Peridynamics; multibody potentials; embedded-atom; molecular dynamics

Funding

  1. Department of Energy [DE-SC0004970, DE-FG02-05ER25701]
  2. National Science Foundation [DMS-1013845]
  3. Laboratory Directed Research and Development program at Sandia National Laboratories
  4. ICES Postdoctoral Fellowship Program
  5. Division Of Mathematical Sciences
  6. Direct For Mathematical & Physical Scien [1013845] Funding Source: National Science Foundation

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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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