Atomistic Simulation of Frictional Sliding Between Cellulose Iβ Nanocrystals

Sliding friction between cellulose I beta nanocrystals is studied using molecular dynamics simulation. The effects of sliding velocity, normal load, and relative angle between sliding surface are predicted, and the results analyzed in terms of the number of hydrogen bonds within and between the cellulose chains. We find that although the observed friction trends can be correlated with hydrogen bonding, it may not be the most significant factor in determining frictional behavior on cellulose nanocrystal surfaces.