Related papers: The Lennard-Jones-Devonshire cell model revisited
We introduce a nonequilibrium off--lattice model for anisotropic phenomena in fluids. This is a Lennard--Jones generalization of the driven lattice--gas model in which the particles' spatial coordinates vary continuously. A comparison…
We use the results derived in the framework of the replica approach to study the liquid-glass thermodynamic transition. The main results are rederived without using replicas and applied to the study of the Lennard-Jones binary mixture…
In the present work, the critical temperature, critical pressure and critical density, known as the critical parameters related to the liquid-gas phase transition are calculated for 34 relativistic mean-field models, which were shown to…
A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Huckel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for 3D…
We investigate numerically the critical behaviour of a one-dimensional non-attractive lattice gas model that is the continuous-time version of the Domany-Kinzel cellular automaton in one of its parameter subspaces. The model shows a phase…
We report a Monte Carlo finite-size scaling study of the demixing transition of a symmetrical Lennard-Jones binary fluid mixture. For equal concentration of species, and for a choice of the unlike-to-like interaction ratio delta=0.7, this…
We evaluate the free energy of the fluid and crystal phases for the ST2 potential [F.H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974)] with reaction field corrections for the long-range interactions. We estimate the phase…
Previous research has indicated the possible existence of a liquid-liquid critical point (LLCP) in models of silica at high pressure. To clarify this interesting question we run extended molecular dynamics simulations of two different…
It is difficult to derive the solid-fluid transition theoretically from microscopic models, although this phenomenon itself has been investigated for a long time. We previously constructed an exactly-solvable model with the solid-fluid…
The approach of global isomorphism between the fluid and the Ising model is applied to obtain an expression for the surface tension of the Lennard-Jones fluid on the basis of the information about the Ising model. This is done in a broad…
The 4D compact U(1) gauge theory has a well-established phase transition between a confining and a Coulomb phase. In this paper, we revisit this model using state-of-the-art Monte Carlo simulations on anisotropic lattices. We map out the…
A new five point potential for liquid water, TIP5P/2018, is presented along with the techniques used to derive its charges from ab initio per-molecule electrostatic potentials in the liquid phase using the split charge equilibration (SQE)…
We present a novel approach to finding critical points in cell-wise barycentrically or bilinearly interpolated vector fields on surfaces. The Poincar\e index of the critical points is determined by investigating the qualitative behavior of…
A compactness theorem for volume-constrained almost-critical points of elliptic integrands is proven. The result is new even for the area functional, as almost-criticality is measured in an integral rather than in a uniform sense. Two main…
We show how to couple two critical Q-state Potts models to yield a new self-dual critical point. We also present strong evidence of a dense critical phase near this critical point when the Potts models are defined in their completely packed…
We perform successive umbrella sampling grand canonical Monte Carlo computer simulations of the original ST2 model of water in the vicinity of the proposed liquid-liquid critical point, at temperatures above and below the critical…
We calculate the average number of critical points $\overline{\mathcal{N}}$ of the energy landscape of a many-body system with disordered two-body interactions and a weak on-site potential. We find that introducing a weak nonlinear on-site…
We determine the pseudo-critical couplings at imaginary chemical potentials by high-statistics Monte Carlo simulations of QCD with four degenerate quarks at non-zero temperature and baryon density by the method of analytic continuationan.…
Extending the Swendsen-Wang cluster algorithm to include both bulk (H) and surface fields (H_1) in L x L x D Ising films of thickness D and two free L x L surfaces, a Monte Carlo study of the capillary condensation critical point of the…
The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree…