Reference : Crystallization of polyethylene: A molecular dynamics simulation study of the nucleat...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms
Anwar, Muhammad [Institute of Space Technology, Islamabad, Pakistan > Mechanical Engineering Department]
Schilling, Tanja mailto [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >]
Elsevier Science
Yes (verified by ORBilu)
United Kingdom
[en] We have performed molecular dynamics simulations to study the mechanism of crystallization from an undercooled polyethylene (C500) melt. We observe that crystal nucleation is initiated by the alignment of chain segments, which is followed by straightening of the chains and densification. Growth procedes via alignment of segments, which are in the vicinity of the growth front, with the chains in the crystalline lamella. Once chains are attached, the lamella thickens by sliding of the segments along the long axis of the chain from the amorphous regions into the crystalline regions. We do not observe the formation of any folded precursors.

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