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Stretched polymers with attractive interaction are studied in two and three dimensions. They are described by biased self-avoiding random walks with nearest neighbour attraction. The bias corresponds to opposite forces applied to the first…
We perform a direct numerical simulation (DNS) of the forced, incompressible two-dimensional Navier-Stokes equation coupled with the FENE-P equations for the polymer-conformation tensor. The forcing is such that, without polymers and at low…
The rich thermotropic behavior of lipid bilayers is addressed using phenomenological theory informed by many experiments. The most recent experiment not yet addressed by theory has shown that the tilt modulus in DMPC lipid bilayers…
We propose a thermodynamic multi-state spin model in order to describe equilibrial behavior of a society. Our model is inspired by the Axelrod model used in social network studies. In the framework of the statistical mechanics language, we…
There are some particular one-dimensional models, such as the Ising-Heisenberg spin models with a variety of chain structures, which exhibit unexpected behaviors quite similar to the first and second order phase transition, which could be…
This paper analyzes a new self-avoiding (SA) meshwork model using the canonical Monte Carlo simulation technique on lattices that consist of connection-fixed triangles. The Hamiltonian of this model includes a self-avoiding potential and a…
The nonequilibrium structural and dynamical properties of semiflexible active polar polymers subject to linear flow are studied by numerical simulations. Filaments are confined in two dimensions and immersed in a fluid described by the…
In this work we describe the thermodynamics and mechanism of CO$_2$ polymorphic transitions under pressure from form I to form III combining standard molecular dynamics, well-tempered metadynamics and committor analysis. We find that the…
The effect of ring stiffness and pressure on the glassy dynamics of a thermal assembly of two-dimensional ring polymers is investigated using extensive coarse-grained molecular dynamics simulations. In all cases, dynamical slowing down is…
The thermodynamic properties of a one-dimensional model describing spin dynamics in the presence of a twofold orbital degeneracy are studied numerically using the transfer-matrix renormalization group (TMRG). The model contains an…
In dimensions 3 or larger, it is a classical fact that the directed polymer model has two phases: Brownian behavior at high temperature, and non-Brownian behavior at low temperature. We consider the response of the polymer to an external…
Two-dimensional systems may admit a hexatic phase and hexatic-liquid transitions of different natures. The determination of their phase diagrams proved challenging, and indeed those of hard-disks, hard regular polygons, and inverse…
The thermodynamics of phase transitions between phases that are size-mismatched but coherent differs from conventional stress-free thermodynamics. Most notably, in open systems such phase transitions are always associated with hysteresis.…
To study the cooling behavior and the glass transition of polymer melts in bulk and with free surfaces a coarse-grained weakly semi-flexible polymer model is developed. Based on a standard bead spring model with purely repulsive…
We study a solution of interacting semiflexible polymers with curvature energy in poor-solvent conditions on the d-dimensional cubic lattice using mean-field theory and Monte Carlo computer simulations. Building upon past studies on a…
We study flexible polymer macromolecules in a crowded (porous) environment, modelling them as self-attracting self-avoiding walks (SASAW) on site-diluted percolative lattices in space dimensions d=2, 3. The influence of stretching force on…
We define a nonlinear thermodynamical formalism which translates into dynamical system theory the statistical mechanics of generalized mean-field models, extending investigation of the quadratic case by Leplaideur and Watbled. Under…
From general arguments, that are valid for spin models with sufficiently short-range interactions, we derive strong constraints on the excitation spectrum across a continuous phase transition at zero temperature between a magnetic and a…
Phase I of hydrogen has several peculiarities. Despite having a close-packed crystal structure, it is less dense than either the low temperature Phase II or the liquid phase. At high pressure, it transforms into either phase III or IV,…
Limited-valency colloidal particles can self-assemble into polymeric structures analogous to molecules. While their structural equilibrium properties have attracted wide attention, insight into their dynamics has proven challenging. Here,…