Molecular dynamics for ion beam analysis

    Research output: Contribution to journalConference articleScientificpeer-review

    Abstract

    Molecular dynamics (MD) computer simulation's, while very extensively used in chemistry and materials physics, have largely been absent in the theoretical treatment of ion beam analysis. Instead the computationally more efficient binary collision approximation (BCA) methods are widely used. In this paper I compare the two methods regarding the level of physical approximation versus accuracy, using a simple model study as an illustrative example. I then show, based on results in the literature, that although in most cases BCA methods are well sufficient for ion beam analysis, there are special conditions where MD methods are required even for keV and MeV kinetic energy processes. (c) 2007 Elsevier B.V. All rights reserved.
    Original languageEnglish
    JournalNuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms
    Volume266
    Pages (from-to)1886-1891
    Number of pages6
    ISSN0168-583X
    DOIs
    Publication statusPublished - 2008
    MoE publication typeA4 Article in conference proceedings
    EventUnknown host publication - , Netherlands
    Duration: 1 Jan 1800 → …

    Cite this

    @article{d499b04a55ee4fe28b16ad71781f522d,
    title = "Molecular dynamics for ion beam analysis",
    abstract = "Molecular dynamics (MD) computer simulation's, while very extensively used in chemistry and materials physics, have largely been absent in the theoretical treatment of ion beam analysis. Instead the computationally more efficient binary collision approximation (BCA) methods are widely used. In this paper I compare the two methods regarding the level of physical approximation versus accuracy, using a simple model study as an illustrative example. I then show, based on results in the literature, that although in most cases BCA methods are well sufficient for ion beam analysis, there are special conditions where MD methods are required even for keV and MeV kinetic energy processes. (c) 2007 Elsevier B.V. All rights reserved.",
    author = "Kai Nordlund",
    note = "Volume: 266 Host publication title: Eighteenth International Conference on Ion Beam Analysis Proceeding volume:",
    year = "2008",
    doi = "10.1016/j.nimb.2007.11.056",
    language = "English",
    volume = "266",
    pages = "1886--1891",
    journal = "Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms",
    issn = "0168-583X",
    publisher = "Elsevier",

    }

    Molecular dynamics for ion beam analysis. / Nordlund, Kai.

    In: Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms, Vol. 266, 2008, p. 1886-1891.

    Research output: Contribution to journalConference articleScientificpeer-review

    TY - JOUR

    T1 - Molecular dynamics for ion beam analysis

    AU - Nordlund, Kai

    N1 - Volume: 266 Host publication title: Eighteenth International Conference on Ion Beam Analysis Proceeding volume:

    PY - 2008

    Y1 - 2008

    N2 - Molecular dynamics (MD) computer simulation's, while very extensively used in chemistry and materials physics, have largely been absent in the theoretical treatment of ion beam analysis. Instead the computationally more efficient binary collision approximation (BCA) methods are widely used. In this paper I compare the two methods regarding the level of physical approximation versus accuracy, using a simple model study as an illustrative example. I then show, based on results in the literature, that although in most cases BCA methods are well sufficient for ion beam analysis, there are special conditions where MD methods are required even for keV and MeV kinetic energy processes. (c) 2007 Elsevier B.V. All rights reserved.

    AB - Molecular dynamics (MD) computer simulation's, while very extensively used in chemistry and materials physics, have largely been absent in the theoretical treatment of ion beam analysis. Instead the computationally more efficient binary collision approximation (BCA) methods are widely used. In this paper I compare the two methods regarding the level of physical approximation versus accuracy, using a simple model study as an illustrative example. I then show, based on results in the literature, that although in most cases BCA methods are well sufficient for ion beam analysis, there are special conditions where MD methods are required even for keV and MeV kinetic energy processes. (c) 2007 Elsevier B.V. All rights reserved.

    U2 - 10.1016/j.nimb.2007.11.056

    DO - 10.1016/j.nimb.2007.11.056

    M3 - Conference article

    VL - 266

    SP - 1886

    EP - 1891

    JO - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

    JF - Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms

    SN - 0168-583X

    ER -