Article (Scientific journals)
Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms
Anwar, Muhammad; Schilling, Tanja
2015In Polymer, 76, p. 307-312
Peer reviewed
 

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Abstract :
[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.
Disciplines :
Physics
Author, co-author :
Anwar, Muhammad;  Institute of Space Technology, Islamabad, Pakistan > Mechanical Engineering Department
Schilling, Tanja ;  University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit
External co-authors :
yes
Language :
English
Title :
Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms
Publication date :
2015
Journal title :
Polymer
ISSN :
0032-3861
Publisher :
Elsevier Science, Oxford, United Kingdom
Volume :
76
Pages :
307-312
Peer reviewed :
Peer reviewed
Available on ORBilu :
since 02 October 2015

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