Applicability of mode-coupling theory to polyisobutylene: A molecular dynamics simulation study

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Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.

The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factoriza...

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ژورنال

عنوان ژورنال: Physical Review E

سال: 2013

ISSN: 1539-3755,1550-2376

DOI: 10.1103/physreve.88.042302