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

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Zhang , S , Pakarinen , O H , Backholm , M , Djurabekova , F , Nordlund , K , Keinonen , J & Wang , T S 2018 , ' Absence of single critical dose for the amorphization of quartz under ion irradiation ' , Journal of Physics. Condensed Matter , vol. 30 , no. 1 , 015403 . https://doi.org/10.1088/1361-648X/aa9868

Title: Absence of single critical dose for the amorphization of quartz under ion irradiation
Author: Zhang, Shuo; Pakarinen, Olli Heikki; Backholm, Matilda; Djurabekova, Flyura; Nordlund, Kai; Keinonen, Juhani; Wang, T.S.
Contributor organization: Department of Physics
Helsinki Institute of Physics
Date: 2018-01-10
Language: eng
Number of pages: 10
Belongs to series: Journal of Physics. Condensed Matter
ISSN: 0953-8984
DOI: https://doi.org/10.1088/1361-648X/aa9868
URI: http://hdl.handle.net/10138/308627
Abstract: 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.
Subject: 114 Physical sciences
amorphization of quartz
ion irradiation
Rutherford backscattering spectrometry in channelling conditions
molecular dynamics
Peer reviewed: Yes
Usage restriction: openAccess
Self-archived version: acceptedVersion

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