Bulk Silica

30 minutes

Summary

Amorphous silica (SiO₂) is found in a variety of places, and is a relatively simple, network forming glass. Here we’ll set up a bulk silica simulation in a unit cell of our own design, and which can serve as the basis for other tutorials.

Preparation

Download the example data as a zip or tar.gz and unpack it if you haven’t done so already. Alternatively, download the data files listed below and save them to a location of your choice.

Neutron data file: SiO2_NIMROD.mint01

Save your input file under a sensible name in same directory as the example data

Let's begin!

Step 1 - Set up Atom Types

Step 2 - Set up Atomic Species

Step 3 - Set up a Configuration

Step 4 - Set up Processing

Step 5 - Equilibrate the Box

Step 6 - Set up Potential Refinement

Step 7 - Analyse the Structure

View Single Page Version

Last modified February 24, 2023: Docs 1.0 (#1221) (6f6c04b7e)