[Pw_forum] Amorphous Solid

Sarah Alpine sarahalpine1 at gmail.com
Wed Feb 24 20:46:19 CET 2016


Dear All,
     I am trying to simulate amorphous SiO2. If I am correct, it structures
as tetrahedral arrangements wherein all the tetrahedra are connected, but
have random orientations. So, what I am envisioning to do is create a
supercell of about 20 tetrahedra, and orient these 20 based on a Monte
Carlo method. Is this the correct way to simulate the amorphous SiO2? And
if it is, are there any suggestions for how to use a Monte Carlo method to
find the atomic positions?
I'd appreciate any feed back.
Thanks,
Sarah
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