Dear LAMPS users,
I want to use a hybrid pair- style to simulate metal and water interface.
For metal I want to use eam potential and for water I am not sure that can I use lj/cut/tip4p/long?
would you please help me to find a good pair-style for metal and water?
Dear LAMPS users,
I want to use a hybrid pair- style to simulate metal and water interface.
For metal I want to use eam potential and for water I am not sure that can I use lj/cut/tip4p/long?
Why do you think so?
would you please help me to find a good pair-style for metal and water?
Please study the literature discussing the simulation of aqueous interfaces. There is a wealth of publications, figure out which approach is the best for your needs and then see how to realize it with lammps.
Axel