In this work, we first simulated the amorphization of crystalline quartz under 50 keV 23Na ion irradiation with classical molecular dynamics (MD). We then used binary collision approximation algorithms to simulate the Rutherford backscattering spectrometry in channeling conditions (RBS-C) from these irradiated MD cells, and compared the RBS-C spectra with experiments. The simulated RBS-C results show an agreement with experiments in the evolution of amorphization as a function of dose, showing what appears to be (by this measure) full amorphization at about 2.2 eV.atom-1. We also applied other analysis methods, such as angular structure factor, Wigner-Seitz, coordination analysis and topological analysis, to analyze the structural evolution of the irradiated MD cells. The results show that the atomiclevel structure of the sample keeps evolving after the RBS signal has saturated, until the dose of about 5 eV.atom-1. The continued evolution of the SiO2 structure makes the definition of what is, on the atomic level, an amorphized quartz ambiguous.
- amorphization of quartz
- ion irradiation
- molecular dynamics
- Rutherford backscattering spectrometry in channelling conditions