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Towards auxetic nanofibres-molecular modelling of auxetic behaviour in cellulose II

  • Yong Tao Yao
  • , Andrew Alderson*
  • , Kim Lesley Alderson
  • *Corresponding author for this work
  • University of Bolton

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Molecular mechanics simulations have been used to study the deformation and mechanical properties of crystalline cellulose II. Good agreement was achieved with the experimental lattice parameters, bond lengths and angles, and hydrogen bond network. Auxetic (negative Poisson' ratio) behaviour was predicted in the y-z plane in crystalline cellulose II, in agreement with experiment.

Original languageEnglish
Title of host publicationBehavior and Mechanics of Multifunctional Materials and Composites 2012
DOIs
StatePublished - 2012
EventBehavior and Mechanics of Multifunctional Materials and Composites 2012 - San Diego, CA, United States
Duration: 12 Mar 201215 Mar 2012

Publication series

NameProceedings of SPIE - The International Society for Optical Engineering
Volume8342
ISSN (Print)0277-786X

Conference

ConferenceBehavior and Mechanics of Multifunctional Materials and Composites 2012
Country/TerritoryUnited States
CitySan Diego, CA
Period12/03/1215/03/12

Keywords

  • Auxetic
  • Cellulose II
  • Molecular modelling
  • Negative poisson's ratio

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