I am hoping to perform some molecular dynamics simulations using LAMMPS to simulate a carbon surface (only around 10 layers thick) at a range of temperatures. I am wondering if there are any LAMMPS scripts that I could use to validate my simulations?
There should be many scripts (at least one per paper published on it). However, I doubt that other researchers will share you the script itself.
Have you checked the examples folder of LAMMPS? There are some examples of ReaxFF with CHO containing molecules that can easily be adapted to graphite-like structures.
My problem is more in getting a stable graphitic/amorphous surface at higher temperatures (2000-4000 K) than may be available in the very basic sample codes that come with LAMMPS. I believe you when you say I may not be able to find such a script and appreciate the honest answer.
We recently published a paper doing this. Procedure is similar for other force fields... perhaps you can follow the methods?
https://doi.org/10.1016/j.carbon.2017.04.004
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