Vitaliy Bardik

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Keywords: 2D 'Mercedes Benz' model BN2D Molecular Dynamics Thermodynamic properties Radial distribution function Autocorrelation functions NVE NPT a b s t r a c t Two-dimensional 'Mercedes Benz' (MB) or BN2D water model (Naim, 1971) is implemented in Molecular Dynamics. It is known that the MB model can capture abnormal properties of real water (high heat(More)
The work is devoted to the analysis of high-frequency behavior of the velocity auto-correlation function spectrum ϕ(V)(ω) for argon-like systems. The theoretical predictions are compared with results of computer simulations of ϕ(V)(ω). It is shown that (1) ϕ(V)(ω) takes the exponential behavior ϕ(V)(ω)⇒ω(q(n)) (ω→∞)exp(-(ωτ(a)(n))(p(n))), where p(n), q(n),(More)
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