Stress-Induced Infrared Frequency Shifts in Polyethylene

Authors

G. A. Pfeffer, University of Nebraska at Omaha
D. W. Noid, Oak Ridge National Laboratory

Date of this Version

1990

Comments

Published in Macromolecules No. 23, pp. 2573-2576, 1990.

Abstract

The molecular dynamics technique is used to study the spectral response of a polyethylene chain in a crystal environment under a mechanical deformation. The MUSIC method, which was previously shown to accurately compute dispersion curves from the time-dependent structure factor, is used. A complete characterization of frequency shifts is presented for various lamellar thickness, temperatures, stress (or pressure), and mass defects.