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[lammps-users] Simulation of a LJ liquid with solid walls on top and bottom
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[lammps-users] Simulation of a LJ liquid with solid walls on top and bottom


From: m n <mnnfean@...16...>
Date: Thu, 3 Aug 2017 18:20:39 +0000 (UTC)

Dear all,

I want to simulate a 2D liquid (square domain) with two copper solid walls on the top and bottom of the domain and apply two different high and low constant temperatures on the copper walls in order to calculate the temperature distribution as a result of the temperature gradient. I would really appreciate if somebody could answer my following questions: 

1. How can I create my geometry? Should I define two different lattices for liquid and copper walls or I need to use other softwares such as VMD or Packmol to create the data file for geometry?

2. Is it appropriate to use LJ potential for LJ liquid particles, "eam" potential for copper particles and again LJ potential for the interaction between LJ liquid and copper particles? 

Many thanks in advance,

Santiago