Molecular dynamics studies of the lamellar thickening process for polyethylene

D. W. Noid, B. G. Sumpter, B. Wunderlich

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

The molecular dynamics technique to simulate polyethylene crystals is used with minor modifications to study the mobility of a polyethylene chain in a crystal environment. A small force is added to the end atom of a polyethylene chain, which subsequently pulls the chain through the crystal, thereby simulating one of the proposed steps in lamellar thickening. The effects of temperature, force, and lamellar thickness on the dynamics of this crystal annealing process are elucidated. Conformational disorder in the crystal is found to lead to a substantial enhancement in the mobility of the chain.

Original languageEnglish
Pages (from-to)304-308
Number of pages5
JournalPolymer communications Guildford
Volume31
Issue number8
StatePublished - Aug 1990

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