Stress-Induced Infrared Frequency Shifts in Polyethylene
نویسندگان
چکیده
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.
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