- Letter
Stable intermediate phase of secondary structures for semiflexible polymers
Phys. Rev. E 107, L032501 – Published 29 March, 2023
DOI: https://doi.org/10.1103/PhysRevE.107.L032501
Abstract
Systematic microcanonical inflection-point analysis of precise numerical results obtained in extensive generalized-ensemble Monte Carlo simulations reveals a bifurcation of the coil-globule transition line for polymers with a bending stiffness exceeding a threshold value. The region, enclosed by the toroidal and random-coil phases, is dominated by structures crossing over from hairpins to loops upon lowering the energy. Conventional canonical statistical analysis is not sufficiently sensitive to allow for the identification of these separate phases.
Physics Subject Headings (PhySH)
- Biomolecular structure
- Chain stiffness
- Classical statistical mechanics
- Entropy
- Phase behavior
- Phase diagrams
- Phase transitions
- Phase transitions by order
- Polymer conformation & topology
- Polymer conformation changes
- Specific phase transitions
- Thermal properties
- Thermodynamics
- Biological materials
- Polymers
- Single polymer chains
- Data analysis
- Monte Carlo methods