Hi, I’m new to LAMMPS, I wanted to ask if there are ready-made potentials on Cu - Zn?
as for example in
***\lammps\LAMPS 64-bit 3Aug2022\Potentials\Cu Ni.team.alloy
or for example -
Interatomic Potentials Repository
only Cu - Zn (there is no Cu - Zn specifically on the above site)
Thanks for the answer
I would first search the published literature to identify previous studies of the same compound under the same or similar conditions and then look up which particular potentials and parameterizations those were using and how accurate their results are. From there you can get either the references for publications that describe the parameterization or those parameters and included, and then you may find a reference whether those parameters have been uploaded somewhere. Sometimes also the parameter files are in the supplemental information section of the paper.
can you specify databases of scientific publications of potentials, where to look? or forums?
google scholar ?
You did not pay attention to what I suggested.
I did not suggest you search for potentials, I suggest you search for publications of similar studies like you are attempting to do and learn from those about what they used for potentials. This is the kind of literature search that should be done at the beginning of every research project.
Thank you. But on google scholar I did not find the potential of Cu - Zn, as for example Cu-Zr on Interatomic Potentials Repository
Thank you. I found what you’re talking about.
Perhaps the questions will appear a little later.
Hi. I would be grateful if you could tell me why this link does not work now - https://www.lammps.org/potentials.html ?
and is there an alternative, since there should be potentials.
thank you.
Ever heard of link rot?
Where did you find this link? There is no such page on the LAMMPS homepage and has not been for at least 2 years.
I have already advised you to search the published literature. That is where you can find whether the parameterizations you are looking for exist at all and how to look for them. You may need to use some tools to generate the corresponding file yourself.
Please understand that LAMMPS provides the software to do the simulations. The parameters is something that you as the user need to supply.
For our and the convenience of the LAMMPS users, a small number of select potential files are included in the LAMMPS distribution. This is mostly for the purpose of testing the included functionality and to demonstrate the file formats in use, but that does not mean that there is an obligation to provide any parameters for any kind of study.
As a point of reference, I can easily find (less than I spent typing this on a search with google) at least 2 publications which describe parameters (or have references to parameters) that cover copper-zinc bronze compounds and thus should be what you are looking for.