Interatomic potential development

Graeme J. Ackland, Giovanni Bonny

    Research outputpeer-review

    Abstract

    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.
    Chapter1.17
    Pages544-572
    Number of pages29
    Volume1
    Edition2
    ISBN (Print)978-0-08-102866-7
    DOIs
    StatePublished - 2020

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