Time autocorrelation function of intramolecular dipole moments for type-A polymer glass

Jun Matsui, Yasuaki Hiwatari

Research output: Contribution to journalArticle

Abstract

We compute the high-frequency spectra of the intermolecular dipole moment correlation for a model polymer near the glass transition by molecular dynamics simulation without charge distribution. The dielectric properties are calculated by introducing the inherent dipoles which are virtually placed along the chains as forming the type-A polymer. The high-frequency loss peak corresponding to the local motions of molecules is observed at around 10 THz. The spectra are strongly deviated from a Lorentian distribution, which causes a large so-called tangential delta near the peak frequency as well.

Original languageEnglish
Pages (from-to)2849-2852
Number of pages4
Journaljournal of the physical society of japan
Volume74
Issue number10
DOIs
Publication statusPublished - Oct 1 2005

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autocorrelation
dipole moments
glass
polymers
charge distribution
dielectric properties
dipoles
molecular dynamics
causes
molecules
simulation

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

Cite this

Time autocorrelation function of intramolecular dipole moments for type-A polymer glass. / Matsui, Jun; Hiwatari, Yasuaki.

In: journal of the physical society of japan, Vol. 74, No. 10, 01.10.2005, p. 2849-2852.

Research output: Contribution to journalArticle

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