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

Yong Tao Yao; Andrew Alderson; Kim Lesley Alderson

doi:10.1117/12.914692

28 March 2012 Towards auxetic nanofibres: molecular modelling of auxetic behaviour in cellulose II

Yong Tao Yao, Andrew Alderson, Kim Lesley Alderson

Proceedings Volume 8342, Behavior and Mechanics of Multifunctional Materials and Composites 2012; 83421W (2012) https://doi.org/10.1117/12.914692
Event: SPIE Smart Structures and Materials + Nondestructive Evaluation and Health Monitoring, 2012, San Diego, California, United States

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.

Citation Download Citation

Yong Tao Yao, Andrew Alderson, and Kim Lesley Alderson "Towards auxetic nanofibres: molecular modelling of auxetic behaviour in cellulose II", Proc. SPIE 8342, Behavior and Mechanics of Multifunctional Materials and Composites 2012, 83421W (28 March 2012); https://doi.org/10.1117/12.914692

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