modeling crystalline silica (quartz sand)

Dear all,

I need to model quartz sand in LAMMPS and I need a proper code because I am new to this software. I need to know where to start and it would be the best way to look at some previously written codes in this field. I also need to find the tensile strength of a sand grain.

Regards

Hi Smackus,

I suggest you find a local expert to guide you. If you can’t find anybody, try doing a literature search. There are a lot of good papers on modeling tensile strength using MD, and many of the more recent ones use LAMMPS. Before you attempt to model quartz, you should start with something simpler, such as silicon.

Aidan

Aidan,

Thank you for your quick response. The problem with the papers is that the exact way of modeling is not presented in them. They usually name the force field they use and that’s all. I will try to find someone local I just hoped I could see some similar codes to my work so It will be very easier for me to figure out my way around.

Hi Smackus,

I suggest you find a local expert to guide you. If you can’t find anybody, try doing a literature search. There are a lot of good papers on modeling tensile strength using MD, and many of the more recent ones use LAMMPS. Before you attempt to model quartz, you should start with something simpler, such as silicon.

Aidan