Interatomic potential development

Graeme J. Ackland, Giovanni Bonny

    Research outputpeer-review


    Nuclear materials are subject to irradiation, and their behavior is therefore not that of thermodynamic equilibrium. To describe the behavior which leads to radiation damage at a fundamental level one must follow the trajectories of the atoms. Since millions of atoms may be involved in a single event, this must be done by numerical simulation, either molecular dynamics or kinetic Monte Carlo. For either of these, a description of the energy is needed: this is the interatomic potential, which is described in this article.
    Original languageEnglish
    Title of host publicationComprehensive Nuclear Materials
    EditorsRudy J.M. Konings, Roger E. Stoller
    PublisherElsevier B.V.
    Number of pages29
    ISBN (Print)978-0-08-102866-7
    StatePublished - 2020

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