Related papers: Knots in Macromolecules in Constraint Space
The stick number of a knot is the minimum number of segments needed to build a polygonal version of the knot. Despite its elementary definition and relevance to physical knots, the stick number is poorly understood: for most knots we only…
We present a scaling theory and Monte Carlo (MC) simulation results for a flexible polymer chain slowly dragged by one end into a nanotube. We also describe the situation when the completely confined chain is released and gradually leaves…
Let $C_n$ be the $n$-th generation in the construction of the middle-half Cantor set. The Cartesian square $K_n$ of $C_n$ consists of $4^n$ squares of side-length $4^{-n}$. The chance that a long needle thrown at random in the unit square…
We use numerical simulations to study tangentially active flexible ring polymers with different knot topologies. Simple, unknotted active rings display a transition from an extended phase to a collapsed one upon increasing the degree of…
We report the results of extensive Dynamic Monte Carlo simulations of systems of self-assembled Equilibrium Polymers without rings in good solvent. Confirming recent theoretical predictions, the mean-chain length is found to scale as $\Lav…
Random walks and polygons are used to model polymers. In this paper we consider the extension of writhe, self-linking number and linking number to open chains. We then study the average writhe, self-linking and linking number of random…
We present Monte Carlo simulations of semidilute solutions of long self-attracting chain polymers near their Ising type critical point. The polymers are modeled as monodisperse self-avoiding walks on the simple cubic lattice with attraction…
In this paper, we study random embeddings of polymer networks distributed according to any potential energy which can be expressed in terms of distances between pairs of monomers. This includes freely jointed chains, steric effects,…
Scaling arguments are used to analyze the size of topologically constrained closed ring polymer with excluded volume. It is found that there exists a finite range of polymer thickness (excluded volume) in which self-avoidance is unimportant…
A knot is an an embedding of a circle into three-dimensional space. We say that a knot is unknotted if there is an ambient isotopy of the embedding to a standard circle. By representing knots via planar diagrams, we discuss the problem of…
Using the pruned-enriched Rosenbluth Monte Carlo algorithm, the scattering functions of semiflexible macromolecules in dilute solution under good solvent conditions are estimated both in $d=2$ and $d=3$ dimensions, considering also the…
We explore the implications of the conservation law(s) and the corresponding "continuity equation(s)", resulting from the coupling between the positional and the orientational order in main-chain polymer nematics, by showing that the…
Advanced Monte Carlo simulations are used to study the effect of nano-slit confinement on metric and topological properties of model DNA chains. We consider both linear and circularised chains with contour lengths in the 1.2--4.8 $\mu$m…
A recent survey of 17 134 proteins has identified a new class of proteins which are expected to yield stretching induced force-peaks in the range of 1 nN. Such high force peaks should be due to forcing of a slip-loop through a cystine ring,…
A multi-crossing (or n-crossing) is a singular point in a projection at which n strands cross so that each strand bisects the crossing. We generalize the classic result of Kauffman, Murasugi, and Thistlethwaite, which gives the upper bound…
We introduce natural language processing into the study of knot theory, as made natural by the braid word representation of knots. We study the UNKNOT problem of determining whether or not a given knot is the unknot. After describing an…
The bond fluctuation method is used to simulate both non-concatenated entangled and interpenetrating melts of ring polymers. We find that the swelling of interpenetrating rings upon dilution follows the same laws as for linear chains.…
The winding of a single polymer in thermal equilibrium around a repulsive cylindrical obstacle is perhaps the simplest example of statistical mechanics in a multiply connected geometry. As shown by S.F. Edwards, this problem is closely…
Molecular dynamic simulation enables one to correlate the evolution of the micro-structure with anisotropic stress when a material is subject to strain. The anisotropic stress due to a constant strain-rate load in a cross-linked polymer is…
This paper, to be regularly updated, lists those prime knots with the fewest possible number of crossings for which values of basic knot invariants, such as the unknotting number or the smooth 4-genus, are unknown. This list is being…