Effect of bending rigidity on the knotting of a polymer under tension
arXiv:1211.1879 · doi:10.1021/mz300493d
Abstract
A coarse-grained computational model is used to investigate how the bending rigidity of a polymer under tension affects the formation of a trefoil knot. Thermodynamic integration techniques are applied to demonstrate that the free-energy cost of forming a knot has a minimum at non-zero bending rigidity. The position of the minimum exhibits a power-law dependence on the applied tension. For knotted polymers with non-uniform bending rigidity, the knots preferentially localize in the region with a bending rigidity that minimizes the free-energy.
arXiv comment15 pages, 6 figures. Corrected problem with references to equations
References in corpus (9)
- Harvesting graphics power for MD simulations
- Probing the entanglement and locating knots in ring polymers: a comparative study of different arc closure schemes
- What is the length of a knot in a polymer?
- Fractal Dimension and Localization of DNA Knots
- Pulling Knotted Polymers
- Multiscale entanglement in ring polymers under spherical confinement
- Confinement of knotted polymers in a slit
- Effect of topology on dynamics of knots in polymers under tension
- Stiff knots
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- Machine learning understands knotted polymers
- Knotted globular ring polymers: how topology affects statistics and thermodynamics
- Compression of a confined semiflexible polymer under direct and oscillating fields
- Free Energy of a Knotted Polymer Confined to Narrow Cylindrical and Conical Channels