Related papers: Semi-flexible interacting self-avoiding trails on …
By large-scale Monte Carlo simulations of semiflexible polymers in $d=2$ dimensions the applicability of the Kratky-Porod model is tested. This model is widely used as "standard model" for describing conformations and force versus extension…
We examine how disordering joint position influences the linear elastic behavior of lattice materials via numerical simulations in two-dimensional beam networks. Three distinct initial crystalline geometries are selected as representative…
CSAW (conditioned self-avoiding walk) is a model of protein folding that combines SAW (self-avoiding walk) with Monte-Carlo. It simulates the Brownian motion of a chain molecule in the presence of interactions, both among chain residues,…
This is a rather personal review of the problem of self-avoiding walks and polygons. After defining the problem, and outlining what is known rigorously and what is merely conjectured, I highlight the major outstanding problems. I then give…
The pivot algorithm for self-avoiding walks has been implemented in a manner which is dramatically faster than previous implementations, enabling extremely long walks to be efficiently simulated. We explicitly describe the data structures…
We study the dynamics of flexible, semiflexible, and self-avoiding polymer chains moving under a Kramers metastable potential. Due to thermal noise, the polymers, initially placed in the metastable well, can cross the potential barrier, but…
We describe a new algebraic technique, utilising transfer matrices, for enumerating self-avoiding lattice trails on the square lattice. We have enumerated trails to 31 steps, and find increased evidence that trails are in the self-avoiding…
We study a model of two polymers confined to a slit with sticky walls. More precisely, we find and analyse the exact solution of two directed friendly walks in such a geometry on the square lattice. We compare the infinite slit limit, in…
Spin crossover (SCO) materials are reversible molecular switches found in a wide range of transition metal complexes and metal organic frameworks (MOFs). They exhibit diverse spin state orderings and transitions between them. We present an…
The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…
Transfer-matrix scaling methods have been used to study critical properties of field-induced phase transitions of two distinct two-dimensional antiferromagnets with discrete-symmetry order parameters: triangular-lattice Ising systems (TIAF)…
We compute by numerical transfer-matrix methods the surface free energy $\tau(T),$ the surface stiffness coefficient $\kappa(T),$ and the single-step free energy $s(T)$ for Ising ferromagnets with $(\infty \times L)$ square-lattice and…
A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…
We study the order-disorder transition in two-dimensional incompressible systems of motile particles with alignment interactions through extensive numerical simulations of the incompressible Toner-Tu (ITT) field theory and a detailed…
We study a restricted class of self-avoiding walks (SAW) which start at the origin (0, 0), end at $(L, L)$, and are entirely contained in the square $[0, L] \times [0, L]$ on the square lattice ${\mathbb Z}^2$. The number of distinct walks…
Interacting Growth Walks is a recently proposed stochastic model for studying the coil-globule transition of linear polymers. We propose a flat energy histogram version for Interacting Growth Walk. We demonstrate the algorithm on two…
We consider the thermal phase transition from a paramagnetic to stripe-antiferromagnetic phase in the frustrated two-dimensional square-lattice Ising model with competing interactions J1<0 (nearest neighbor, ferromagnetic) and J2 >0 (second…
In this article an anisotropic interaction model avoiding collisions is proposed. Starting point is a general isotropic interacting particle system, as used for swarming or follower-leader dynamics. An anisotropy is induced by rotation of…
We study the Monte Carlo dynamics of strongly correlated classical particles coupled to lattice degrees of freedom that exhibit the neutral-ionic transitions in one dimension, relevant to the organic compounds TTF-CA and TTF-BA. The…
In polymer physics it is typically assumed that excluded volume interactions are effectively screened in polymer melts. Hence, chains could be described by an effective random walk without excluded volume interactions. In this letter, we…