Dear lammps users,
I have worked on Computational Fluid Dynamics (CFD) for some years, but I am now a beginner of lammps. I compiled it on my opensuse platform and made the lmp_opensuse file succeully. Then, I run the examples, e.g. Poisseuille and Couette flows and Pour (by adding the GRANULAR package) and viz them with xmove.
Now, I want to simulate a fluid flow around a Carbon NanoTube (CNT) in 3D channel and I could not find a step by step algorithm to do this. Already, I am familiar with input files of lammps examples, however, do not know how (where) to:
- Create the CNT structure and fix its sides in a 3D domain,
- Specifying the atom types (fluid and carbon) and the proper force fields,
- Implementing the In/Out boundary conditions,
- Making the input file of this problem.
Up to my knowledge, such structhures should be made in other codes like CHARMM or AMBER or etc which I have none of them. But I could not find a straight forward way to model this specific problem.
Can anyone help me out?
Thanks a lot,