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The competition between the connectivity and the local or global order inmodel fully-flexible chain molecules is investigated by molecular-dynamicssimulations. States with both missing (melts) and high (crystal) global orderare considered. Local order is characterized within the first coordinationshell (FCS) of a tagged monomer and found to be lower than in atomic systems inboth melt and crystal. The role played by the bonds linking the tagged monomerto FCS monomers (radial bonds), and the bonds linking two FCS monomers (shellbonds) is investigated. The detailed analysis in terms of Steinhardt'sorientation order parameters Q_l (l = 2 - 10) reveals that increasing thenumber of shell bonds decreases the FCS order in both melt and crystal.Differently, the FCS arrangements organize the radial bonds. Even if themolecular chains are fully flexible, the distribution of the angle formed byadjacent radial bonds exhibits sharp contributions at the characteristic angles{\theta} = 70{\deg}, 122{\deg}, 180{\deg}. The fractions of adjacent radialbonds with {\theta} = 122{\deg}, 180{\deg} are enhanced by the global order ofthe crystal, whereas the fraction with 70{\deg} < {\theta} < 110{\deg} isnearly unaffected by the crystallization. Kink defects, i.e. large lateraldisplacements of the chains, are evidenced in the crystalline state.

Competition of the connectivity with the local and the global order in polymer melts and crystals