Related papers: The Lennard-Jones-Devonshire cell model revisited
Molecular dynamic simulations for systems with $D=2,3$ Lennard-Jones-like interactions are studied. In the model, we assume that, at long distances, the two-body attractive potential decays as $r^{-\alpha}$. Thermodynamic extensivity…
A method of obtaining the critical temperature from within a supercritical mesophase bounded by percolation transition loci is described. We report thermodynamic pressures from MD simulations for more than 2000 state points along 7…
The Lennard-Jones 12-6 potential (LJ) is arguably the most widely used pair potential in Molecular Simulations. In fact, it is so popular that the question is rarely asked whether it is fit for purpose. In this paper, we argue that, whilst…
The recent theoretical prediction by Maimbourg and Kurchan [arXiv:1603.05023] that for regular pair-potential systems the virial potential-energy correlation coefficient increases towards unity as the dimension $d$ goes to infinity is…
The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point…
Generative models based on invertible transformations provide a physics-aware route to sample equilibrium configurations directly from the Boltzmann distribution, enabling efficient exploration of complex thermodynamic landscapes. Here, we…
Critical point of liquid-gas (LG) transition does not conform with the paradigm of spontaneous symmetry breaking because there is no broken symmetry in both phases. This stimulated the ongoing debate about the nature of the universality…
A two dimensional lattice gas model with ''core-softened'' potential is investigated. Two liquid phases and density anomaly are found. The demixing phase transition between the two liquid phases end at a tricritical point that is also the…
In this paper we apply the global isomorphism approach [V.~L. Kulinskii, J. Phys. Chem. B \textbf{114} 2852 (2010)] between the Lennard-Jones fluids and Lattice Gas model to the study of the liquid-vapor equilibrium for the systems with the…
A class of Polyakov-loop-modified Nambu--Jona-Lasinio (PNJL) models have been used to support a conjecture that numerical simulations of lattice-regularized quantum chromodynamics (QCD) defined with a chiral chemical potential can provide…
We use scale invariant scattering theory to obtain the exact equations determining the renormalization group fixed points of the two-dimensional $CP^{N-1}$ model, for $N$ real. Also due to special degeneracies at $N=2$ and 3, the space of…
We find a thermodynamic description of gas-liquid criticality that is different from van der Waals and mean-field theories. At the critical temperature there is no critical point; a liquid phase coexists with a vapor phase with densities…
A thermodynamically consistent phase-field model is introduced for simulating multicellular deformation, and aggregation under flow conditions. In particular, a Lennard-Jones type potential is proposed under the phase-field framework for…
In a recent article, Wang et al (Phys. Chem. Chem. Phys., 22, 10624 (2020)) introduced a new class of interparticle potential for molecular simulations. The potential is defined by a single range parameter, eliminating the need to decide…
Results of a systematic investigation of the vapour-liquid equilibria of 38 individual two-centre Lennard-Jones plus axial pointdipole model fluids (2CLJD) are reported over a range of reduced dipolar momentum 0 $\le \mu^{*2} \le$ 20 and of…
Recent Monte Carlo simulation studies of a Lennard-Jones fluid confined to a mesoscopic slit-pore have reported evidence for ``critical depletion'' in the pore local number density near the liquid-vapour critical point. In this note we…
This paper investigates the relation between the density-scaling exponent $\gamma$ and the virial potential-energy correlation coefficient $R$ at several thermodynamic state points in three dimensions for the generalized $(2n,n)$…
The main objective of this article is to study the nature of the Andrews critical point in the gas-liquid transition in a physical-vapor transport (PVT) system. A dynamical model, consistent with the van der Waals equation near the Andrews…
Linearly-sloped or `ramp' potentials belong to a class of core-softened models which possess a liquid-liquid critical point (LLCP) in addition to the usual liquid-gas critical point. Furthermore they exhibit thermodynamic anomalies in the…
The relation between liquid-liquid phase transitions and waterlike density anomalies in core-softened potentials of fluids was investigated in an exactly solvable one dimensional lattice model and a in a three dimensional fluid with…