[lammps-users] Potential for the interaction between Li-ions and Carbon

Hi all users:

I want to do a simulation on diffusion of lithium ions in carbon nanowires, but not sure which potential should be used for the interaction between Li-ions and Carbon. Is the style lj/cut/coul/long OK? If so, how to decide the charges of Carbon? Any comment is appreciated. Thanks.

Best,

Rongjun

I don't know, but you should find a paper that formulates the model
you are planning to use.

Steve