Slow dynamics in a model of the cellulose network

O. V. Manyuhina, A. Fasolino, M. I. Katsnelson

Published 2007-06-07Version 1

We present numerical simulations of a model of cellulose consisting of long stiff rods, representing cellulose microfibrils, connected by stretchable crosslinks, representing xyloglucan molecules, hydrogen bonded to the microfibrils. Within a broad range of temperature the competing interactions in the resulting network give rise to a slow glassy dynamics. In particular, the structural relaxation described by orientational correlation functions shows a logarithmic time dependence. The glassy dynamics is found to be due to the frustration introduced by the network of xyloglucan molecules. Weakening of interactions between rod and xyloglucan molecules results in a more marked reorientation of cellulose microfibrils, suggesting a possible mechanism to modify the dynamics of the plant cell wall.