Related papers: Hard-disk equation of state: First-order liquid-he…
The effect of inclusion of higher-order interactions in the {\it XY} model on critical properties is studied by Monte Carlo simulations. It is found that an increasing number of the higher-order terms in the Hamiltonian modifies the shape…
A closed virial equation-of-state for the low density fluid phase of hard disks is obtained from the known virial coefficients. The equation exhibits 6-figure accuracy for the thermodynamic (MD) pressure up to the reduced number density ~…
The hexatic fluid refers to a phase in between a solid and a liquid which has short range positional order but quasi-long range orientational order. In the celebrated theory of Berezinskii, Kosterlitz and Thouless and subsequently refined…
We examine the question of the criteria of the relaxation to the equilibrium in the hard disk dynamics. In the Event-Chain Monte Carlo, we check the displacement distributions which follows to the exponential law.
Proton ordering in water ice is a paradigmatic order-disorder transition in a locally constrained system. The ice rules require exactly two hydrogens close to each oxygen, restricting the disorder to an exponentially large yet strongly…
In two-dimensional tissues, such as developing germ layers, pair-wise forces (or active stresses) arise from the contractile activity of the cytoskeleton, with dissipation provided by the three-dimensional surroundings. We show analytically…
Molecular dynamics computer simulations of collective excitations in a system of hard disks confined to a narrow channel of the specific width, that resembles 2D triangular lattice at disk close packing, are performed. We found that…
Inspired by the stable bilayer water ice grown in the laboratory (Nature 577, 60, 2020), we propose a model representing water ice as a two-layer six-vertex model. Using the loop update Monte Carlo method, we unveil meaningful findings.…
Many physical systems involve two types of orientational order, which are coupled together. For example, ferroelectric nematic liquid crystals have coupled polar and nematic order, and tilted hexatic phases have coupled polar and hexatic…
Melting in 2D is described by the celebrated Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) theory. The unbinding of two different types of topological defects destroys translational and orientational order at different temperatures. The…
We consider the phase behavior of two-dimensional ($2D$)system of particles with an isotropic core-softened potential introduced in our previous publications. As one can expect from the qualitative consideration for the three dimensional…
Structural transitions and the melting behavior of crystalline poly(ethylene oxide),(CH2-CH2-O)n, (PEO) has been investigated using fully atomistic, constant pressure-constant temperature (NPT) molecular dynamics (MD) simulations. Melting…
Monte Carlo simulations using a hybrid quantum and classical mechanical potential were performed for crystal and amorphous-like HCl-water(n) clusters The subsystem composed by HCl and one water molecule was treated within Density Functional…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
The ordering transitions of a 2D lattice liquid characterized by a single favoured local structure (FLS) are studied using Monte Carlo simulations. All eight distinct geometries for the FLS are considered and we find a variety of ordering…
Positional ordering of a two-dimensional fluid of hard disks is examined in such narrow tubes where only the nearest-neighbor interactions take place. Using the exact transfer-matrix method the transverse and longitudinal pressure…
The liquid-vapor transition is a classic example of a discontinuous (first-order) phase transition. Such transitions underlie many phenomena in cosmology, nuclear and particle physics, and condensed-matter physics. They give rise to…
Solving numerically the 3D non linear Ginzburg-Landau (GL) equations, we study equilibrium and nonequilibrium phase transitions between different superconducting states of mesoscopic disks which are thinner than the coherence length and the…
In this work, we introduce a new Hybrid High-Order method for the numerical simulation of fracture propagation based on phase-field models. The proposed method supports general meshes made of polygonal/polyhedral elements, which provides…
A numerical scheme to study the mixed states in a mesoscopic type-II superconducting cylinder is described. Steady-state configurations and transient behavior of the magnetic vortices for various values of the applied magnetic field H are…