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Register a new userRanking knots of random, globular polymer rings
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An analysis of extensive simulations of interacting self-avoiding polygons on cubic lattice shows that the frequencies of different knots realized in a random, collapsed polymer ring decrease as a negative power of the ranking order, and suggests that the total number of different knots realized grows exponentially with the chain length. Relative frequencies of specific knots converge to definite values because the free energy per monomer, and its leading finite size corrections, do not depend on the ring topology, while a subleading correction only depends on the crossing number of the knots.
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We introduce and implement a Monte Carlo scheme to study the equilibrium statistics of polymers in the globular phase. It is based on a model of interacting elastic lattice polymers and allows a sufficiently good sampling of long and compact configurations, an essential prerequisite to study the scaling behaviour of free energies. By simulating interacting self-avoiding rings at several temperatures in the collapsed phase, we estimate both the bulk and the surface free energy. Moreover from the corresponding estimate of the entropic exponent $alpha-2$ we provide evidence that, unlike for swollen and $Theta$-point rings, the hyperscaling relation is not satisfied for globular rings.
A compressed knotted ring polymer in a confining cavity is modelled by a knotted lattice polygon confined in a cube in ${mathbb Z}^3$. The GAS algorithm [17] is used to sample lattice polygons of fixed knot type in a confining cube and to estimate the free energy of confined lattice knots. Lattice polygons of knot types the unknot, the trefoil knot, and the figure eight knot, are sampled and the free energies are estimated as functions of the concentration of monomers in the confining cube. The data show that the free energy is a function of knot type at low concentrations, and (mean-field) Flory-Huggins theory [12,15] is used to model the free energy as a function of monomer concentration. The Flory interaction parameter of knotted lattice polygons in ${mathbb Z}^3$ is also estimated.
We study the translocation dynamics of a polymer chain threaded through a nanopore by an external force. By means of diverse methods (scaling arguments, fractional calculus and Monte Carlo simulation) we show that the relevant dynamic variable, the translocated number of segments $s(t)$, displays an {em anomalous} diffusive behavior even in the {em presence} of an external force. The anomalous dynamics of the translocation process is governed by the same universal exponent $alpha = 2/(2 u +2 - gamma_1)$, where $ u$ is the Flory exponent and $gamma_1$ - the surface exponent, which was established recently for the case of non-driven polymer chain threading through a nanopore. A closed analytic expression for the probability distribution function $W(s, t)$, which follows from the relevant {em fractional} Fokker - Planck equation, is derived in terms of the polymer chain length $N$ and the applied drag force $f$. It is found that the average translocation time scales as $tau propto f^{-1}N^{frac{2}{alpha} -1}$. Also the corresponding time dependent statistical moments, $< s(t) > propto t^{alpha}$ and $< s(t)^2 > propto t^{2alpha}$ reveal unambiguously the anomalous nature of the translocation dynamics and permit direct measurement of $alpha$ in experiments. These findings are tested and found to be in perfect agreement with extensive Monte Carlo (MC) simulations.
We show that the collapsed globular phase of a polymer accommodates a scale-free incompatibility graph of its contacts. The degree distribution of this network is found to decay with the exponent $gamma = 1/(2-c)$ up to a cut-off degree $d_c propto L^{2-c}$, where $c$ is the loop exponent for dense polymers ($c=11/8$ in two dimensions) and $L$ is the length of the polymer. Our results exemplify how a scale-free network (SFN) can emerge from standard criticality.
We develop a theory for polymer translocation driven by a time-dependent force through an oscillating nanopore. To this end, we extend the iso-flux tension propagation theory (IFTP) [Sarabadani textit{et al., J. Chem. Phys.}, 2014, textbf{141}, 214907] for such a setup. We assume that the external driving force in the pore has a component oscillating in time, and the flickering pore is similarly described by an oscillating term in the pore friction. In addition to numerically solving the model, we derive analytical approximations that are in good agreement with the numerical simulations. Our results show that by controlling either the force or pore oscillations, the translocation process can be either sped up or slowed down depending on the frequency of the oscillations and the characteristic time scale of the process. We also show that while in the low and high frequency limits the translocation time $tau$ follows the established scaling relation with respect to chain length $N_0$, in the intermediate frequency regime small periodic fluctuations can have drastic effects on the dynamical scaling. The results can be easily generalized for non-periodic oscillations and elucidate the role of time dependent forces and pore oscillations in driven polymer translocation.
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