Related papers: Eigen Microstate Condensation and Critical Phenome…
Via a combination of molecular dynamics (MD) simulations and finite-size scaling (FSS) analysis, we study dynamic critical phenomena for the vapor-liquid transition in a three dimensional Lennard-Jones system. The phase behavior of the…
We study equilibrium dynamics of a symmetrical binary Lennard-Jones fluid mixture near its consolute criticality. Molecular dynamics simulation results for shear viscosity, $\eta$, from microcanonical ensemble are compared with those from…
Monte Carlo simulations within the grand canonical ensemble are used to explore the liquid-vapour coexistence curve and critical point properties of the Lennard-Jones fluid. Attention is focused on the joint distribution of density and…
We introduce the eigen microstate entropy ($S_{\text{EM}}$), a novel metric of complexity derived from the probabilities of statistically independent eigen microstates. After establishing its scaling behavior in equilibrium systems and…
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…
In a statistical ensemble with $M$ microstates, we introduce an $M \times M$ correlation matrix with the correlations between microstates as its elements. Using eigenvectors of the correlation matrix, we can define eigen microstates of the…
We reaccess the droplet condensation-evaporation transition of a three-dimensional Lennard-Jones system upon a temperature change. With the help of parallel multicanonical simulations we obtain precise estimates of the transition…
The first-order phase transitions and related thermodynamics properties are primary concerns of materials sciences and engineering. In traditional atomistic simulations, the phase transitions and the estimation of their thermodynamic…
We present a finite-size scaling analysis of the droplet condensation-evaporation transition of a lattice gas (in two and three dimensions) and a Lennard-Jones gas (in three dimensions) at fixed density. Parallel multicanonical simulations…
The length-scale dependence of the dynamic entropy is studied in a molecular dynamics simulation of a binary Lennard-Jones liquid above the mode-coupling critical temperature $T_c$. A number of methods exist for estimating the entropy of…
We present a comprehensive model study of the eigen-microstate approach (EMA) for identifying critical fluctuations in relativistic heavy-ion collisions. Using UrQMD and two stochastic baseline models, we demonstrate that EMA is insensitive…
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on…
We develop the eigen-microstate framework as a new approach to identify criticality in relativistic heavy-ion collisions. We construct the original microstate, defined as the final-state particle fluctuations of a single event. By examining…
We consider the application of finite-size scaling methods to isothermal-isobaric (constant-NpT) simulations of pure continuum fluids. A finite-size scaling ansatz is made for the dependence of the relevant scaling operators on the particle…
The problem of the gas-liquid heterophase fluctuations of a fluid within the critical and supercritical regions is revisited. To describe the thermodynamics and structure of the heterophase fluid, the mesoscopic equation of state is…
Ionic fluids under conductive confinement are central to technologies such as batteries, supercapacitors, and fuel cells. Their interfacial behavior governs energy storage and electrochemical processes. Despite their importance, the…
A fluctuating non-ideal fluid at its critical point is simulated with the Lattice Boltzmann method. It is demonstrated that the method, employing a Ginzburg-Landau free energy functional, correctly reproduces the static critical behavior…
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…
We show that, along the critical isobar, the complete scaling results in a unique leading scaling qualitatively distinct to that arising from the simple and the revised scalings. This is verified by a complete-field finite-time scaling…
Water's unique anomalies are vital in various applications and biological processes, yet the molecular mechanisms behind these anomalies remain debated, particularly in the metastable liquid phase under supercooling and stretching…