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- Type of Document: M.Sc. Thesis
- Language: Farsi
- Document No: 58260 (04)
- University: Sharif University of Technology
- Department: Physics
- Advisor(s): Ejtehadi, Mohammad Reza
- Abstract:
- This thesis investigates the dynamics and structure of active poly[2]catenated rings, where activity is introduced by applying tangential active forces to monomers. The primary focus is to analyze the effect of activity on the system's structure and dynamics. Using molecular dynamics simulations, various physical quantities related to shape, size, structure, and dynamics of the chains are extracted and analyzed. Two configurations are examined. First, the symmetric system, in which both rings are equally active, aims to analyze the effects of activity percentage and ring length on the structure and dynamics of the two-ring system, and to compare the behavior of its rings with that of single active rings. Second, the asymmetric system, where one ring remains completely passive while the other is activated with varying levels of activity, seeks to determine whether catenation induces mutual influence or if the two rings behave independently. The results showed that the spatial size of the rings exhibits a non-monotonic response to changes in the activity percentage of the monomers. When one-quarter of the ring’s monomers are active, the ring size reaches its minimum, regardless of chain length. Short rings with 100 or fewer monomers are more swollen in the fully active state compared to the passive state, but this swelling is less pronounced in the active ring of two-ring system than in single active rings. In contrast, longer rings with approximately 200 monomers become more compact than their equilibrium size under full activity. In fully flexible rings, due to the absence of bending rigidity, both the degree of swelling in short, fully active rings and the structural compaction in long, fully active rings are more significant compared to their semi-flexible counterparts. The results of this study also showed that in the asymmetric system, although the intensity of the active ring's activity affects the behavior of the passive ring, this effect is not significant, and the passive ring remains in equilibrium. Additionally, the behavior of the active ring is similar to that of active rings in the symmetric system. Understanding the behavior of such systems contributes to a better comprehension of biological structures modeled as active rings and has applications in the design and development of smart materials and nanoscale architectures
- Keywords:
- Active Force ; Catenation ; Passive Rings ; Active Polymer Rings
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