Hello all,
I am simulating thermal property of the nanofluid in which I inserted Cu nanoparticle in water. I want to see the diameter effect on thermal properties for which I keep on increasing the nanoparticle diameter from 1 nm to 6 nm. My query is that the LJ parameters (interactions) used for Cu nanoparticle and water remains same or they vary with the nanoparticle diameter?
Hello all,
I am simulating thermal property of the nanofluid in which I inserted Cu
nanoparticle in water. I want to see the diameter effect on thermal
properties for which I keep on increasing the nanoparticle diameter from 1
nm to 6 nm. My query is that the LJ parameters (interactions) used for Cu
nanoparticle and water remains same or they vary with the nanoparticle
diameter?
that question has nothing to do with LAMMPS and is entirely about the
science of your project.
since you have to look up such parameters from the published
literature, you need to do a proper and detailed search of the
literature and see what people have done in those cases and what their
observations are. i would expect that people keep using the same set
of LJ parameters, since those are already a very crude model. your
project is not exactly a new topic, so there should be a sufficient
selection of publications available to compare. beyond that, i suggest
to discuss this topic with your adviser, as that is the person
responsible with guiding your research.
axel.