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Home  //  Others Molecular simulation movies

This section is dedicated to show some simple but pedagogical moecluar simulation movies of simple (and not so simple) systems. All simulation results have been performed in our Research Group, using our own Monte Carlo (MC) simulation codes, but also using the software GROMACS (version 4.6.1), a package to perform Molecular Dynamics (MD) program first developed by Herman Berenden's Reserach Group (Department of Biophysical Chemistry of Groningen University).

 

Vapor-liquid interface of a Lennard-Jones fluid at T*=0.7

 

Here we show a MD simulation of the vapor-liquid interface of a pure Lennard-Jones fluid. The movies shows how the liquid (in the middle of the simulation box) is in equilibirum with its vapour, which is occupying the both sides of the simulation box. The central part of the simulation side, as well as both sides, exhibit a bulk phase behaviour enough away from the boundaries separting the liquid and the vapour. The region of the boundaries is commonly named interface, a region at which the liquid phase continuous transform into a vapour phase. In this case, two interfaces can be easily identified during the movie. In particular, this movie shows the evolution of the system along 2 ns, i.e., 2x10-9 s.

 

 

 

 

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    Departamento de Física Aplicada
    Facultad de Ciencias Experimentales
    Universidad de Huelva
    21071 Huelva Spain
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