相关论文: Percolation model for structural phase transitions…

A theoretical model of vapor-liquid phase transition in a system of charged hard cores of different diameters is suggested (with the parameters of the transition obtained in a number of studies using the Monte Carlo method). The model is…

Here, we show that the conductivity of conductor-insulator composites in which electrons can tunnel from each conducting particle to all others may display both percolation and tunneling (i.e. hopping) regimes depending on few…

We study the structure and the dynamics in the formation of irreversible gels by means of molecular dynamics simulation of a model system where the gelation transition is due to the random percolation of permanent bonds between neighboring…

In the present paper, the connection between surface order-disorder phase transitions and the percolating properties of the adsorbed phase has been studied. For this purpose, four lattice-gas models in presence of repulsive interactions…

LixTMO2 (TM=Ni, Co, Mn) forms an important family of cathode materials for Li-ion batteries, whose performance is strongly governed by Li composition-dependent crystal structure and phase stability. Here, we use LixCoO2 (LCO) as a model…

We conducted Monte Carlo simulations to analyze the percolation transition of a non-symmetric loop model on a regular three-dimensional lattice. We calculated the critical exponents for the percolation transition of this model. The…

A wide variety of methods have been used to compute percolation thresholds. In lattice percolation, the most powerful of these methods consists of microcanonical simulations using the union-find algorithm to efficiently determine the…

We investigate the site percolation transition in two strongly correlated systems in three dimensions: the massless harmonic crystal and the voter model. In the first case we start with a Gibbs measure for the potential, $U=\frac{J}{2}…

We use numerical simulation to examine the possibility of a reversible liquid-liquid transition in supercooled water and related systems. In particular, for two atomistic models of water, we have computed free energies as functions of…

The model of a one-dimensional kinetic contact process with parallel update is studied by the Monte Carlo simulations and finite-size scaling. The goal was to reveal the structure of the hidden percolative patterns (order parameters) in the…

The high-pressure II-III phase transition in solid hydrogen is investigated using the random phase approximation and diffusion Monte Carlo. Good agreement between the methods is found confirming that an accurate treatment of exchange and…

In this article, we study a bond percolation model on a horizontally stretched square lattice, constructed by stretching the distances between the columns of $\mathbb{Z}_+^2$ according to a collection of independent and identically…

We prove phase transitions for continuum percolation in a Boolean model based on a Cox point process with nonstabilizing directing measure. The directing measure, which can be seen as a stationary random environment for the classical…

Highly concentrated aqueous lithium chloride solutions were investigated by classical molecular dynamics (MD) and reverse Monte Carlo (RMC) simulations. At first MD calculations were carried out applying twenty-nine combinations of…

In order to explore the origin of the Metal-Insulator (M-I) transition, the precise crystal structures of the hole-doped Mott insulator system, Y1-XCaXTiO3 (x=0.37, 0.39 and 0.41), are studied for the temperature range between 20K and 300K…

We study a statistical mechanics model of a solid. Neighboring atoms are connected by Hookian springs. If the energy is larger than a threshold the "spring" is more likely to fail, while if the energy is lower than the threshold the spring…

Breathing transitions represent recently discovered adsorption-induced structural transformations between large-pore and narrow-pore conformations in bistable metal-organic frameworks, such as MIL-53. We present a multiscale physical…

Mastery of order-disorder processes in highly non-equilibrium nanostructured oxides has significant implications for the development of emerging energy technologies. However, we are presently limited in our ability to quantify and harness…

We have studied the percolation behaviour of deposits for different (2+1)-dimensional models of surface layer formation. The mixed model of deposition was used, where particles were deposited selectively according to the random (RD) and…

We present Monte Carlo estimates for site and bond percolation thresholds in simple hypercubic lattices with 4 to 13 dimensions. For d<6 they are preliminary, for d >= 6 they are between 20 to 10^4 times more precise than the best previous…