Matches in SemOpenAlex for { <https://semopenalex.org/work/W2910356929> ?p ?o ?g. }
- W2910356929 endingPage "818" @default.
- W2910356929 startingPage "807" @default.
- W2910356929 abstract "It has previously been shown that polyethylene (PE) with a bimodal molar mass distribution has a high fracture toughness. Our approach has been to use coarse-grained (CG) molecular dynamics (MD) simulations to investigate the effects of including short-chain branches in the high molar mass fraction of bimodal PE on topological features and mechanical behavior of the material. The CG potentials were derived, validated, and utilized to simulate melt equilibration, cooling, crystallization, and mechanical deformation. Crystallinity, tie chain, and entanglement concentrations were continuously monitored. During crystallization, the branched bimodal systems disentangled to a lesser degree and ended up with a higher entanglement density than the linear bimodal systems simulated in our previous study. The increase in entanglement concentration was proportional to the content of the branched high molar mass fraction. A significantly higher tie chain concentration was obtained in the short-chain branched bimodal systems than in the linear systems. The increase in the number of ties was more pronounced than the increase in the number of entanglements. The tie chain concentration was not proportional to the content of the high molar mass fraction. Despite a lower crystal thickness and content, the elastic modulus and yield stress values were higher in the branched bimodal systems. A more pronounced strain hardening region was observed in the branched systems. It was suggested that the higher tie chain and entanglement concentration prior to the deformation, the more extensive disentanglement during the deformation, and the disappearance of formed voids prior to failure point were the reasons for the observed higher toughness of the short-chain branched bimodal PE compared with that of the linear bimodal systems. The toughest system, which contained respectively 25 and 75 wt % low molar mass and branched high molar mass fractions, had the highest tie chain concentration and the second highest entanglement concentration of the simulated systems." @default.
- W2910356929 created "2019-01-25" @default.
- W2910356929 creator A5068187524 @default.
- W2910356929 creator A5069984477 @default.
- W2910356929 creator A5079886166 @default.
- W2910356929 creator A5082877588 @default.
- W2910356929 date "2019-01-11" @default.
- W2910356929 modified "2023-10-16" @default.
- W2910356929 title "Molecular Dynamics Simulations of Short-Chain Branched Bimodal Polyethylene: Topological Characteristics and Mechanical Behavior" @default.
- W2910356929 cites W1031578623 @default.
- W2910356929 cites W1865899113 @default.
- W2910356929 cites W1966932097 @default.
- W2910356929 cites W1967461608 @default.
- W2910356929 cites W1972149909 @default.
- W2910356929 cites W1974941326 @default.
- W2910356929 cites W1977090123 @default.
- W2910356929 cites W1979587633 @default.
- W2910356929 cites W1981643373 @default.
- W2910356929 cites W1986191722 @default.
- W2910356929 cites W1987464018 @default.
- W2910356929 cites W1991794210 @default.
- W2910356929 cites W1992234052 @default.
- W2910356929 cites W1992339286 @default.
- W2910356929 cites W1993413218 @default.
- W2910356929 cites W1996093074 @default.
- W2910356929 cites W2005942984 @default.
- W2910356929 cites W2007281312 @default.
- W2910356929 cites W2008602852 @default.
- W2910356929 cites W2017835622 @default.
- W2910356929 cites W2019465613 @default.
- W2910356929 cites W2024204659 @default.
- W2910356929 cites W2025566349 @default.
- W2910356929 cites W2026588854 @default.
- W2910356929 cites W2029723863 @default.
- W2910356929 cites W2032347399 @default.
- W2910356929 cites W2032777797 @default.
- W2910356929 cites W2034036943 @default.
- W2910356929 cites W2042574390 @default.
- W2910356929 cites W2047968138 @default.
- W2910356929 cites W2048018598 @default.
- W2910356929 cites W2053058099 @default.
- W2910356929 cites W2054104540 @default.
- W2910356929 cites W2055655509 @default.
- W2910356929 cites W2059244287 @default.
- W2910356929 cites W2060592137 @default.
- W2910356929 cites W2060681932 @default.
- W2910356929 cites W2060832006 @default.
- W2910356929 cites W2062103735 @default.
- W2910356929 cites W2065640450 @default.
- W2910356929 cites W2069083639 @default.
- W2910356929 cites W2071477613 @default.
- W2910356929 cites W2073487173 @default.
- W2910356929 cites W2077833658 @default.
- W2910356929 cites W2078402834 @default.
- W2910356929 cites W2081693079 @default.
- W2910356929 cites W2151542248 @default.
- W2910356929 cites W2154330711 @default.
- W2910356929 cites W2168929119 @default.
- W2910356929 cites W2297852396 @default.
- W2910356929 cites W2312787803 @default.
- W2910356929 cites W2327603726 @default.
- W2910356929 cites W2332276550 @default.
- W2910356929 cites W2464116907 @default.
- W2910356929 cites W2479544304 @default.
- W2910356929 cites W2498754087 @default.
- W2910356929 cites W2511309442 @default.
- W2910356929 cites W2513061957 @default.
- W2910356929 cites W2548259489 @default.
- W2910356929 cites W2559482510 @default.
- W2910356929 cites W2571233986 @default.
- W2910356929 cites W2581648905 @default.
- W2910356929 cites W2587809526 @default.
- W2910356929 cites W2606677104 @default.
- W2910356929 cites W2619947458 @default.
- W2910356929 cites W2619981845 @default.
- W2910356929 cites W2769194998 @default.
- W2910356929 cites W2769544703 @default.
- W2910356929 cites W2792810628 @default.
- W2910356929 cites W2799497377 @default.
- W2910356929 cites W2804955444 @default.
- W2910356929 cites W2886310397 @default.
- W2910356929 cites W2904927766 @default.
- W2910356929 cites W4247787060 @default.
- W2910356929 doi "https://doi.org/10.1021/acs.macromol.8b01874" @default.
- W2910356929 hasPublicationYear "2019" @default.
- W2910356929 type Work @default.
- W2910356929 sameAs 2910356929 @default.
- W2910356929 citedByCount "39" @default.
- W2910356929 countsByYear W29103569292019 @default.
- W2910356929 countsByYear W29103569292020 @default.
- W2910356929 countsByYear W29103569292021 @default.
- W2910356929 countsByYear W29103569292022 @default.
- W2910356929 countsByYear W29103569292023 @default.
- W2910356929 crossrefType "journal-article" @default.
- W2910356929 hasAuthorship W2910356929A5068187524 @default.
- W2910356929 hasAuthorship W2910356929A5069984477 @default.
- W2910356929 hasAuthorship W2910356929A5079886166 @default.
- W2910356929 hasAuthorship W2910356929A5082877588 @default.