UNEDSoftMatter / LJ_walls

lammps MD script to perform the simulation of a fluid between two walls when the temperature of the lower wall is increased.

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LJ_walls

lammps MD scripts to perform the simulation of a fluid between two walls when the temperature of the lower wall is increased.

The script has three parts:

  • In microcanonival ensemble, fluid and walls reach equilibrium with a langevin thermostat (T= 1.5)
  • Once the system is equilibrated, the temperature of the lower wall is increased (T = 10).
  • Then, the system reaches again the equilibrium.

The process is performed in the microcanonical ensemble.

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lammps MD script to perform the simulation of a fluid between two walls when the temperature of the lower wall is increased.