Microscopic mechanisms of the shape memory effect in crosslinked polymers

Davidson, Jacob D.; Goulbourne, Nakhiah C.

Microscopic mechanisms of the shape memory effect in crosslinked polymers

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Date

2015

Authors

Davidson, Jacob D.

Goulbourne, Nakhiah C.

Publication type

Journal article

Publication status

Published

Published in

Smart Materials and Structures ; 24 (2015), 5. - 055014. - Institute of Physics Publishing (IOP). - ISSN 0964-1726. - eISSN 1361-665X

Abstract

In this work we perform coarse-grained molecular dynamics (MD) simulations to study the molecular origins of the thermal shape memory effect in crosslinked polymer materials. Thermal shape memory polymers (SMPs) are materials able to hold a deformed shape when cooled below the glass transition temperature, and subsequently recover the initial shape when heated. To use SMPs in various applications requires materials which reliably hold and recover their shapes; this has sparked recent synthesis work to create new SMP materials with optimized properties. Here we use coarse-grained MD simulations with different polymer chain models to determine which parameters affect relevant SMP behavior and to investigate the molecular mechanisms at the level of individual chains during temperature cycling. The simulations show how temperature-dependent chain mobility leads to shape memory polymer behavior. In particular, we demonstrate the importance of attractive monomer interactions in leading to 'good' SMP behavior. The results suggest promising routes for material development. Additionally, the mechanisms identified with the simple simulation model can be used to inform multi-scale models of SMP material behavior.

Subject (DDC)

570 Biosciences, Biology

Cite This

ISO 690

DAVIDSON, Jacob D., Nakhiah C. GOULBOURNE, 2015. Microscopic mechanisms of the shape memory effect in crosslinked polymers. In: Smart Materials and Structures. Institute of Physics Publishing (IOP). 24(5), 055014. ISSN 0964-1726. eISSN 1361-665X. Available under: doi: 10.1088/0964-1726/24/5/055014

BibTex

@article{Davidson2015-05-01Micro-50979,
  year={2015},
  doi={10.1088/0964-1726/24/5/055014},
  title={Microscopic mechanisms of the shape memory effect in crosslinked polymers},
  number={5},
  volume={24},
  issn={0964-1726},
  journal={Smart Materials and Structures},
  author={Davidson, Jacob D. and Goulbourne, Nakhiah C.},
  note={Article Number: 055014}
}

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Refereed

Unknown