Single-chain Dynamics of Linear Polyethylene Liquids under Shear Flow

Document Type


Publication Date



Molecular dynamics simulations of linear C78H158 were conducted to investigate the dynamics of individual chains under shear. The distribution of the end-to-end vector exhibited Gaussian behavior at low shear rates; however, it displayed a bimodal form at high shear rates as rotational motion of the individual chains effectively lowered the vector's magnitude. Correlations between the components of the end-to-end vector revealed multiple time scales associated with the fluid response: the Rouse time, and several that were associated with the deformation and rotational dynamics of the fluid.

Files over 3MB may be slow to open. For best results, right-click and select "save as..."