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Self‐assembly of domain wall of molecular twist defects in polyethylene crystal
Author(s) -
Balabaev Nikolai K.,
Gendelman Oleg V.,
Manevitch Leonid I.,
Mazo Michael A.
Publication year - 1996
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.19961060106
Subject(s) - twist , polyethylene , molecular dynamics , materials science , relaxation (psychology) , crystal (programming language) , domain (mathematical analysis) , crystallography , composite material , chemical physics , computational chemistry , chemistry , geometry , mathematics , psychology , social psychology , mathematical analysis , computer science , programming language
Two‐dimensional structural defects in a polyethylene crystal (twist domain walls) are investigated by means of analytic treatment and molecular dynamics simulation. The formation of the domain wall as a result of relaxation of the crystal from different initial states is studied and parameters of this type of defects are calculated.