Modifying LIGGGHTS for Charge Conduction

Submitted by joe-dan on Wed, 02/15/2023 - 11:39

I am looking into how I would go about modifying an existing contact model to include charge conduction of particles through contact. I have to say my C++ skills aren't amazing but I have a fair bit of experience with programming in other languages so I understand how code is set up and run. My confusion comes from understanding where I would have to implement this code in order to allow for charge to be transferred when particles collide with each other and where I would put the calculations that are referred to during this interaction. I have experience using LIGGGHTS and this would be the next step to my research and any help would be greatly appreciated.
Thanks in advance.

Forums:

Jacob.Z | Thu, 02/16/2023 - 01:07

Hi Joe,

You can turn to charged particle code in LAMMPS.

Cheers,
Jacob

joe-dan | Sat, 02/18/2023 - 20:47

Hi Jacob,

Thank you for replying so quickly.
Could you please elaborate on you answer though. When you say to turn to the charged particles code for LAMMPS, do you mean that there is currently a similar effect implemented in LAMMPS/ LIGGGHTS? Or should I be looking at modifying charged particle code in the LAMMPS source code files and then rebuilding the software? As I understand it, LAMMPS is used for more molecular dynamics and I haven't had any experience in using the software although I realise LIGGGHTS is built off of this code. The application of this process will be used for granular material too, and a stable simulation input script has been produced in LIGGGHTS. Am I right in assuming that this charge transfer occurring between two particles during a contact must be implemented through modification of multiple source files?
Thanks in advance.

Cheers,
Joe