Volume 15, Issue 1
Peridynamic State-Based Models and the Embedded-Atom Model

Pablo Seleson, Michael L. Parks & Max Gunzburger

Commun. Comput. Phys., 15 (2014), pp. 179-205.

Published online: 2014-01

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  • Abstract

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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@Article{CiCP-15-179, author = {}, title = {Peridynamic State-Based Models and the Embedded-Atom Model}, journal = {Communications in Computational Physics}, year = {2014}, volume = {15}, number = {1}, pages = {179--205}, abstract = {

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.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.081211.300413a}, url = {http://global-sci.org/intro/article_detail/cicp/7092.html} }
TY - JOUR T1 - Peridynamic State-Based Models and the Embedded-Atom Model JO - Communications in Computational Physics VL - 1 SP - 179 EP - 205 PY - 2014 DA - 2014/01 SN - 15 DO - http://doi.org/10.4208/cicp.081211.300413a UR - https://global-sci.org/intro/article_detail/cicp/7092.html KW - AB -

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.

Pablo Seleson, Michael L. Parks & Max Gunzburger. (2020). Peridynamic State-Based Models and the Embedded-Atom Model. Communications in Computational Physics. 15 (1). 179-205. doi:10.4208/cicp.081211.300413a
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