Phase diagram of a Lennard-Jones fluid at liquid-gas equilibrium is studied by molecular dynamics simulations. The problem of potential cut-off influence on the properties of the model system is investigated. For several values of the cut-off radius, the physical properties of coexisting phases and critical parameters are calculated. It is shown that the results obtained for various cut-offs scaled by the critical temperature and density coincide, which means that fluids described by different modifications of the Lennard-Jones potential are thermodynamically similar, i.e., obey a corresponding states law.
The effects of temperature and pressure nonuniformities at evaporation on the properties of liquid–gas interface are studied by molecular dynamics (MD) simulation and thermodynamic perturbation method on the basis of the van der Waals theory of capillarity. The structure and properties of the interfacial layer of equilibrium and nonequilibrium Lennard-Jones (12-6) systems are investigated. The surface tension, the two-particle distribution functions, the density fluctuation correlation lengths, and the evaporation coefficients are calculated using MD simulation. It is shown that the presence of the temperature gradient at the interface due to evaporation leads to reduction of the surface tension. The results of MD simulations are in agreement with the results of thermodynamic approach.
This study deals with the nucleation mechanism of electric explosion of wires allowing estimation of wire parameters at the start of the explosion for a wide range of experimental conditions. We analyse the dependence of the limit value of the energy deposited during the initial resistive phase of heating of the wire on the parameters of the wire and circuit as well as the size distribution of metal particles formed on electrical explosion of the wire. We discuss the correspondence of these results with previously published experimental data.
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