Which potential should i use to heat up Ni surface ( seems like EAM is not working)

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1

Hi All,
I thermostatted Ni surface by using EAM potential but from images i
can see that Nickel surface is not behaving like a solid surface. I
attached one of the images, input and log file. Can i say that EAM is
not a good potential for thermostatting or is there any other
problems?

Thanks,
Emma

log.lammps (21.4 KB)

2

EAM works for bulk, surfaces, solids and liquids,

for the materials it is parameterized for (fcc metals

traditionally).

Steve

3

Thanks Steve. If potential is working for Ni surface what would be the
reason to have a surface like attached.
Thanks again,
Emma

in.temprescale_674K_500atoms (1.67 KB)

image.1700.jpg

4

No idea. I suggest you use an EAM Ni potential to reproduce
something in the literature as a first step.

Steve