101. Single-chain dynamics of linear polyethylene liquids under shear flow
- Author
-
David J. Keffer, Bamin Khomami, Brian J. Edwards, and J. M. Kim
- Subjects
Physics ,Gaussian ,Rotation around a fixed axis ,General Physics and Astronomy ,Mechanics ,Condensed Matter::Soft Condensed Matter ,Physics::Fluid Dynamics ,Simple shear ,Linear low-density polyethylene ,Shear rate ,symbols.namesake ,Molecular dynamics ,Shear (geology) ,symbols ,Statistical physics ,Shear flow - Abstract
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.
- Published
- 2009