Molecular dynamic simulation of low-energy FIB irradiation induced damage in diamond

Tong, Zhen and Xu, Zongwei and Wu, Wei and Luo, Xichun (2015) Molecular dynamic simulation of low-energy FIB irradiation induced damage in diamond. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 358. pp. 38-44. ISSN 0168-583X

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    Abstract

    In this article, a large scale multi-particle molecular dynamics (MD) simulation model was developed to study the dynamic structural changes in single crystal diamond under 5 keV Ga+ irradiation in conjunction with a transmission electron microscopy (TEM) experiment. The results show that the thickness of ion-induced damaged layer (∼9.0 nm) obtained from experiments and simulations has good accordance, which demonstrates the high accuracy achieved by the developed MD model. Using this model, the evolution of atomic defects, the spatial distributions of implanted Ga particles and the thermal spike at the very core collision area were analysed. The local thermal recrystallizations observed during each single ion collision process and the increase of the density of the non-diamond phase (mostly sp2 bonded) at irradiation area are fund to be the underling mechanisms responsible for ion fluence dependent amorphization of diamond observed in previous experiments.

    Creators(s): Tong, Zhen, Xu, Zongwei, Wu, Wei and Luo, Xichun ORCID logoORCID: https://orcid.org/0000-0002-5024-7058;
    Item type:Article
    ID code:53357
    Keywords:molecular dynamics, focused ion beam, irradiation damage, amorphization, collision cascades, Engineering design, Industrial and Manufacturing Engineering
    Subjects:Technology > Engineering (General). Civil engineering (General) > Engineering design
    Department:Faculty of Engineering > Design, Manufacture and Engineering Management
    Depositing user: Pure Administrator
    Date deposited:12 Jun 2015 13:38
    Last modified:17 Feb 2021 02:28
    Related URLs:
    URI:https://strathprints.strath.ac.uk/id/eprint/53357
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