Related papers: Knots in Macromolecules in Constraint Space
We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melts and thin polymer films in a slit geometry of thickness of the order of the radius of gyration. We find that the dynamics of the 2D melt is…
The critical incompatibility of polymers with different compositions scales inversely with their length. For instance, a mixture of A and B homopolymers of length $N$ segregates at $\chi_{AB}^{cr} = 2/N$. But what if the difference between…
The equilibrium partitioning of linear polymer chains into flexible polymer networks is governed by intricate entropic constraints arising from configurational degrees of freedom of both chains and network, yet a quantitative understanding…
We prove the fractal crumpled structure of collapsed unknotted polymer ring. In this state the polymer chain forms a system of densely packed folds, mutually separated in all scales. The proof is based on the numerical and analytical…
We consider the diffusive motion of a localized knot along a linear polymer chain. In particular, we derive the mean diffusion time of the knot before it escapes from the chain once it gets close to one of the chain ends. Self-reptation of…
The role of the topology and its relation with the geometry of biopolymers under different physical conditions is a nontrivial and interesting problem. Aiming at understanding this issue for a related simpler system, we use Monte Carlo…
The ropelength of a knot or link is the minimal number of inches of 1-inch-thick rope that it takes to tie it. The relationship of this measurement to knot and link invariants has been studied by various authors. We give the first results…
Modeling of polymer chains has received a lot of attention in mathematics. In fact, probabilistic models that naturally arise in statistical mechanics have been widely studied by mathematicians for the very challenging and novel problems…
Every classical or virtual knot is equivalent to the unknot via a sequence of extended Reidemeister moves and the so-called forbidden moves. The minimum number of forbidden moves necessary to unknot a given knot is an invariant we call the…
In this work, we present a simple and efficient generator of polymeric linear chains, based on a random self-avoiding walk process. The chains are generated using a discrete process of growth, in cubic networks and in a finite time, without…
We consider the rupture dynamics of a homopolymer chain pulled at one end at a constant loading rate r. Compared to single bond breaking, the existence of the chain introduces two new aspects into rupture dynamics: the non-Markovian aspect…
We formulate the holographic principle for knots and links. For the "space" of all knots and links, torus knots T(2m+1,2) and torus links L(2m,2) play the role of the "boundary" of this space. Using the holographic principle, we find the…
The ropelength of a knot is the minimum length required to tie it. Computational upper bounds have previously been computed for every prime knot with up to 11 crossings. Here, we present ropelength measurements for the 2176 knots with 12…
We consider the generalization of the Kramers escape over a barrier problem to the case of a long chain molecule. The problem involves the motion of a chain molecule of $N$ segments across a region where the free energy per segment is…
Power law is one of the the simplest forms of the relationship between different variables of a system. It leads naturally to the introduction of compound parameters describing physical properties of the system. Often one of the variables…
We demonstrate a variant of the Bond Fluctuation lattice Monte Carlo model in which moves through cis conformations are forbidden. Ring polymers in this model have a conserved quantity that amounts to a topological linking number. Increased…
The slicing number of a knot, $u_s(K)$, is the minimum number of crossing changes required to convert $K$ to a slice knot. This invariant is bounded above by the unknotting number and below by the slice genus $g_s(K)$. We show that for many…
The ratio of volume to crossing number of a hyperbolic knot is known to be bounded above by the volume of a regular ideal octahedron, and a similar bound is conjectured for the knot determinant per crossing. We investigate a natural…
We consider the escape of a flexible, self-avoiding polymer chain out of a confined geometry. By means of simulations, we demonstrate that the translocation time can be described by a simple scaling law that exhibits a nonlinear dependence…
Recent developments of microscopic mechanical experiments allow the manipulation of individual polymer molecules in two main ways: \textit{uniform} stretching by external forces and \textit{non-uniform} stretching by external fields. Many…