How to find values of σ, ϵ, and the cutoff for the LJ potential

Where to find values of σ, ϵ, and the cutoff for the Lennard-Jones potential of Al-Mg, Al-Si, and Mg-Si? Previous literature does not provide these values.

Depending on what you want to achieve with your simulation, you may have to parametrise these potentials yourself or look for some other potential forms. For instance, if you want to study binary alloys, then the LJ potential is not an ideal choice.

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If you want to model an alloy of those elements, you need to look for either EAM or MEAM potentials (don’t try to mix multiple of those with pair style hybrid, it will be bogus) or machine learning potentials trained on those elements.

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