Absence of single critical dose for the amorphization of quartz under ion irradiation

Shuo Zhang, Olli Heikki Pakarinen, Matilda Backholm, Flyura Djurabekova, Kai Nordlund, Juhani Keinonen, T.S. Wang

Tutkimustuotos: ArtikkelijulkaisuArtikkeliTieteellinenvertaisarvioitu

Abstrakti

In this work, we first simulated the amorphization of crystalline quartz under 50 keV Na-23 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 atomic-level 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.

Alkuperäiskielienglanti
Artikkeli015403
LehtiJournal of Physics. Condensed Matter
Vuosikerta30
Numero1
Sivumäärä10
ISSN0953-8984
DOI - pysyväislinkit
TilaJulkaistu - 10 tammikuuta 2018
OKM-julkaisutyyppiA1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä, vertaisarvioitu

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