Hello teachers and classmates, I would like to ask the following questions:
My simulation uses the nano unit system in LAMMPS, with a potential function of lj potential
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5，
At this point, the particle diameter output by dump is 1nm.
But I want to simulate particles with a diameter of 10nm, and after using the set type 1 diameter 10 command, the particle diameter output by dump is still 1nm.
How can I simulate particles with a diameter of 10nm?
Do you want to change paid_coeff * * 1.0 1.0 2.5 to paid_coeff * * 1.0 10.0 25? Do we need to change the depth of potential energy?
I hope all teachers and students will not hesitate to give me your guidance. Thank you!
Can you provide the LAMMPS input file where all commands are specified?
Please follow the formatting as described here Please Read This First: Guidelines and Suggestions for posting LAMMPS questions
The pair_coeff command is not related to the particle diameter.
You are mistaken about the purpose of this forum. This is not an online class room. This is not the place to learn how to correctly do MD. We are neither your teachers nor your classmates.
These are questions that you need to answer, since this is your work and your research. If you feel you don’t know enough about this, you have to talk with your adviser or tutor or more experienced colleagues.
Please have a look at the potential function for the Lennard-Jones potential. Where does the particle diameter enter the equation?
The diameter property in LAMMPS is for models that require an explicit diameter (or radius) like for discrete element modeling (aka granular media).