[lammps-users] Thermal interface between Si and Ge

Hello everybody!

And thank you for this forum, it has been great help to get started with lammps.

I am modeling Si-Ge superlattice with tersoff potential. My problem is that my
temperature/distance -profile is opposite to what i can find from literature(only one
source i have). From G.Chens book i find picture of temperature distribution where Si is
about 30-40 degrees hotter than Ge in around 300 K. In my simulation it goes just the
opposite.

I know that ave/spatial calculates same mass for all atoms, but im using it separately
for different groups of atoms.

I havent found any trivial error in my script.

Any experienced folks about this kind of situation around here?
Any wise words to share?

Thanks and keep on coding!

Tuomo Hyvönen

I know that ave/spatial calculates same mass for all atoms, but im using it
separately
for different groups of atoms.

What do you mean by this? I don't think it is so.

Steve

2009/3/25 Tuomo Hyvönen <[email protected]>: