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[lammps-users] Alloys
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[lammps-users] Alloys


From: Asadollahzadeh <niliasadollahzadeh@...24...>
Date: Sat, 19 Aug 2017 19:05:53 +0430

Hi my friends!
I want to simulate an alloy (base is Cu and then different percent of Al will be added, for example: (%100 Cu_%0Al ),(%90Cu_%10Al),........,(%0Cu_%100Al)).

I want to use "Mendelev_Cu2_2012.eam.fs" for Cu & "Al99.eam.alloy" for AlĀ as force field,too.

How can I use *set command* for my target?

pair_style eam/fs
pair_coeff * * Mendelev_Cu2_2012.eam.fs Cu

pair_style eam/alloy
pair_coeff * * Al99.eam.alloy Al

Please help and guide me...

So thanks,
Nili