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Schwarzites to schwarzynes: A new class of superdeformable materials

Published online by Cambridge University Press:  03 July 2020

Eliezer Fernando Oliveira
Affiliation:
Gleb Wataghin Institute of Physics, University of Campinas (UNICAMP), Campinas, SP, Brazil Center for Computational Engineering & Sciences (CCES), University of Campinas (UNICAMP), Campinas, SP, Brazil Department of Materials Science and Nanoengineering, Rice University, Houston, TX, United States
Douglas Soares Galvao
Affiliation:
Gleb Wataghin Institute of Physics, University of Campinas (UNICAMP), Campinas, SP, Brazil Center for Computational Engineering & Sciences (CCES), University of Campinas (UNICAMP), Campinas, SP, Brazil
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Abstract

In this work, we have investigated the structural and mechanical properties of a new class of soft and superelastic materials, called schwarzynes. These materials are obtained by inserting sp carbon atoms (acetylenic groups) into the schwarzite framework. Using fully atomistic molecular dynamics simulations with the AIREBO force field, our results show that schwarzynes are stable materials up to high temperatures (1000K). Schwarzynes exhibit a very wide elastic regime, some of them up to 70% strain without structural fractures. Our preliminary results show that the elastic properties can be easily engineered by tuning the number of acetylenic groups and the crystallographic directions where they are inserted.

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Copyright © Materials Research Society 2020

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