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Applied Physics and Mathematics

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Molecular dynamic calculation of non-equilibrium liquid-vapor phase transition during ub-nanosecond homogeneouse thin film heating
Mazhukin V.I. Shapranov A.V. Samokhin A.A. Ivochkin A.Yu.

In the framework of molecular dynamics the behavior of thin liquid film during its rapid homogeneous heating with rate 2-100 K/ps is studied. The initial film thickness through the
Z axis is 48 nm. The overall number of particles is 96 000 and the length of calculation area is 268 nm in that direction. In the film plane periodic boundary conditions were used with
the main dimension 8x8 nm. The calculation results are presented in a form of distributions of temperature, density and particle velocity in the calculation area averaged over the
film plane and also in the form of two-dimension particle density distributions in the ZX plane in the range of heating time from 0 to 800 ps. In some calculations the heating was switched off with subsequent monitoring of the film behavior.
The obtained results suggest the existence of four different regimes of film behavior depending on the heating rate: quasi-stationary regime with surface evaporation, explosive (volume) boiling, spinodal decomposition and overcritical
expansion.
Keywords: molecular dynamics, thin film, volume heating, surface evaporation, explosive (volume) boiling, spinodal decomposition.

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