dear lammpsers
I am a beginner lammps user.I want to work on phosphorene monolayer which is approximately a new subject. I want to know whether u can send me a code of a phosphorene layer if u have in your archive or not? or even graphene as 2d materials can help me too.
also could u give me a clue about how to find phosphorene potentials?
best regards
zahra
dear lammpsers
I am a beginner lammps user.I want to work on phosphorene monolayer which is
approximately a new subject. I want to know whether u can send me a code
of a phosphorene layer if u have in your archive or not? or even graphene as
2d materials can help me too.
there are a large number of publications describing simulations of 2d materials.
if you have difficulties translating the description in such
publications to a LAMMPS input, then you'll need to learn more about
LAMMPS and practice setting up simulations. that - in turn - is better
achieved by first learning to do simulations of simpler systems (if
you are completely new to MD, then you'd better start with a
monoatomic liquid). you should also not do this on your own, but have
a suitably experienced tutor/mentor/adviser that can look over your
shoulder and discuss best practices. doing MD simulations well, has
little to do with the mechanics of getting the MD simulation software
to run so that you see atoms to wiggle around, but everything with
having a sufficiently deep understanding of the methodology, so you
can plan your simulations well and retain correct results from
analysis. this doesn't happen over night and a mailing list is not a
good place to learn this.
also could u give me a clue about how to find phosphorene potentials?
you have to search the literature for that.
axel.