vashishta potential of Al2O3

Dear all,

I am currently studying alumina growth. There exist “pair_style vashishta” and potential files for InP, SiC and SiO in LAMMPS.

Is it allowed to directly change the SiO parameter file to the a AlO file with changing Si to Al and obviously the parameter values to the Al/O ones consistently. In other words, is pair_style vashishta only working for InP, SiO and SiC ?

If working, I will send you, when successfully tested, the potential parameter file for inclusion in the potentials directory

Thanks a lot

Best regards

Pascal

Dear all,

I am currently studying alumina growth. There exist “pair_style vashishta”
and potential files for InP, SiC and SiO in LAMMPS.

Is it allowed to directly change the SiO parameter file to the a AlO file
with changing Si to Al and obviously the parameter values to the Al/O ones
consistently. In other words, is pair_style vashishta only working for InP,
SiO and SiC ?

no, it will work for other materials as well, provided that the
parameter file is correct.
as far as i know, only pair style airebo makes some assumptions about
the number and kind of elements in the parameter file.

axel.