Document Type
Article
Publication Date
1-1-1990
Publication Title
Macromolecules
Volume
23
Issue
9
First Page
2573
Last Page
2576
DOI
https://doi.org/10.1021/ma00211a027
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.
Recommended Citation
Pfeffer, George A. and Noid, Donald W., "Stress-Induced Infrared Frequency Shifts in Polyethylene" (1990). Chemistry Faculty Publications. 4.
https://digitalcommons.unomaha.edu/chemfacpub/4