2020
DOI: 10.1021/acs.macromol.0c01866
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Intrinsic Surface Characteristics and Dynamic Mechanisms of Ring Polymers in Solution and Melt under Shear Flow

Abstract: Based on the novel viewpoint that ring polymers, with their closed-loop molecular geometry, are naturally defined by an intrinsic two-dimensional topological surface, we analyzed the fundamental structural characteristics and dynamic mechanisms of ring polymers under shear flow. We then proposed several representative physical measures that could effectively be used to characterize the overall ring structure and dynamics. To directly quantify the physical properties, an efficient numerical algorithm was furthe… Show more

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Cited by 10 publications
(30 citation statements)
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“…It is likely that simple shear flows also convectively release ring-linear threadings, but they do not seem to siginficantly drive ring-ring supramolecular assembly due to the flow vorticity rotating chains. [62] This fact may allow the prevalence of ring-linear and ring-ring threadings to be tuned in far-from-equilibrium blend states by applying mixed shear and extensional flows. Regardless, the transient states after will likely produce long-lived and complex stress-relaxation behavior which we plan to explore in our future work.…”
Section: Discussionmentioning
confidence: 99%
“…It is likely that simple shear flows also convectively release ring-linear threadings, but they do not seem to siginficantly drive ring-ring supramolecular assembly due to the flow vorticity rotating chains. [62] This fact may allow the prevalence of ring-linear and ring-ring threadings to be tuned in far-from-equilibrium blend states by applying mixed shear and extensional flows. Regardless, the transient states after will likely produce long-lived and complex stress-relaxation behavior which we plan to explore in our future work.…”
Section: Discussionmentioning
confidence: 99%
“…Another interesting static property of the ensemble of unknotted ring conformations is the minimal area of a surface spanned by the ring's contour. The (minimal) surfaces, typically constrained to disk-like topology, have been found useful to investigate static, dynamic and threading properties in entangled regimes of systems of nonconcatenated rings in equilibrium [10,[26][27][28], out of equilibrium [13,[29][30][31], tadpole-shaped polymers [32,33] or 'lasso' proteins [34]. A threading, as we define it here, is a conformation for which a polymer segment pierces through the minimal surface spanned on a ring segment of another polymer.…”
Section: Single Ring Propertiesmentioning
confidence: 99%
“…It is interesting to note that whereas the tumbling dynamics occurs exclusively with the chain ends for the linear polymer, it can occur with any local loop(s) along the chain in the case of the ring polymer. This fact leads to two distinct types of tumbling mechanism: end-loop tumbling and center-loop tumbling [ 32 ]. The end-loop tumbling mechanism is induced by the local loops situated near the ends (outermost parts) of the stretched ring backbone along the flow direction, which is essentially similar to the typical end-over-end tumbling mechanism of the linear polymer.…”
Section: Resultsmentioning
confidence: 99%
“…As mentioned earlier, the ring polymer exhibits two types of tumbling dynamics at high flow fields: end-loop and center-loop tumbling ( Figure 6 a). Both mechanisms are induced by the local loop(s) randomly created along the closed ring backbone via thermal Brownian motion, the applied flow field, and intermolecular collisions between chains [ 32 ]. Here we further quantified the proportion of each tumbling mechanism for the interfacial ring and SCB ring polymers as a function of the shear rate ( Figure 6 b).…”
Section: Resultsmentioning
confidence: 99%
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