Molecular dynamics simulation of a high-velocity collision (1500 m/s) between two 20 nm crystalline SiO2 particles at 1200K. An amorphous zone is created by the collision as well as some sputtering. The simulation was done on the Lawrence Berkeley Lab supercluster using LAMMPS with Tersoff pair potentials.
Click to view simulation video

Simulated X-ray absorption spectroscopy calculated with XSPECTRA on the Lawrence Berkeley Lab Supercluster showing theoretical K-edge spectra for oxygen bonded to different cations in a crystal. Error bars show variation among similar classes of atoms in the spectra. An experimental spectrum would be generated from the average of all oxygen atoms in the crystal.