hello
I simulate Al-Si-Mg Alloy using MEAM potential. my goal is finding Melting Point. I can not do this.
please help me.
thanks
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Please post LAMMPS questions to the correct category. The “Materials Project” is not it. You need to select one of the LAMMPS (sub) categories. I have changed it for you this time.
You have to apply standard research procedures here:
- check out some text books and published papers and the internet about how to correctly determine melting points from MD simulations. hint: you will probably find discussions of a “coexistence simulation” in that context.
- you have to follow the technical description of the simulation methods for that as given in the relevant publications (it doesn’t have to be for your specific compound, any metal would do)
- try to implement that simulation protocol with LAMMPS and reproduce the results presented in the publication(s).
- once you are confident about how to do this, you can consider doing it for your compound of interest
During all of that, you should have discussions with your adviser/tutor about your progress and choice of methods.
It only makes sense to post questions here if you have a question that is specific to some detail and LAMMPS, not about the methodology itself.