U.S. Department of Energy
Date of this Version
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.
Comments
Published in Macromolecules No. 23, pp. 2573-2576, 1990.