4.7 Article

Microcanonical Analysis of Helical Homopolymers: Exploring the Density of States and Structural Characteristics

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POLYMERS
卷 15, 期 19, 页码 -

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MDPI
DOI: 10.3390/polym15193870

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semiflexible polymers; conformational phases; phase transitions; helical polymers; Monte Carlo simulations; microcanonical analysis

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This study investigates the density of states and structural characteristics of helical homopolymers. Through systematic comparisons of results under varying conditions, the study provides valuable insights into the general behavior and structural transformations of helical homopolymers. The findings are effectively showcased through a two-dimensional plot illustrating the relative distribution of different structural types.
This study investigates the density of states and structural characteristics of helical homopolymers. Comprising repeating identical units, the model enables the exploration of complex behaviors arising from a simple, yet generalized, set of potentials. Utilizing microcanonical analysis, transitions between helical structures are identified and categorized. Through a systematic comparison of results under varying conditions, we develop a nuanced understanding of the system's general behavior. A two-dimensional plot illustrates the relative distribution of different structural types, effectively showcasing their prevalence. The findings of this study substantially advance our understanding of the density of states and structural transformations of helical homopolymers across a range of conditions. Additionally, the prevalence plot offers valuable insights into the occurrence of suppressed intermediate states, particularly in models featuring stiff helix segments. This research significantly enhances our understanding of the complex interactions governing helix bundling phenomena within the context of helical homopolymers.

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