Interaction of hydrogen and helium with nanometric dislocation loops in tungsten assessed by atomistic calculations

Petr Grigorev, Alexander Bakaev, Dmitry Terentyev, Guido Van Oost, J.M. Noterdaeme, Evgeni E. Zhurkin

    Research outputpeer-review


    The interaction of H and He interstitial atoms with ½〈1 1 1〉 and 〈1 0 0〉 loops in tungsten (W) was studied by means of Molecular Static and Molecular Dynamics simulations. A recently developed interatomic potential was benchmarked using data for dislocation loops obtained earlier with two other W potentials available in literature. Molecular Static calculations demonstrated that ½〈1 1 1〉 loops feature a wide spectrum of the binding energy with a maximum value of 1.1 eV for H and 1.93 eV for He as compared to 0.89 eV and 1.56 eV for a straight ½〈1 1 1〉{1 1 0} edge dislocation. For 〈1 0 0〉 loops, the values of the binding energy were found to be 1.63 eV and 2.87 eV for H and He, respectively. These results help to better understand the role played by dislocation loops in H/He retention in tungsten. Based on the obtained results, a contribution of the considered dislocation loops to the trapping and retention under plasma exposure is discussed. © 2016 Elsevier B.V.
    Original languageEnglish
    Pages (from-to)164-168
    Number of pages5
    JournalNuclear Instruments and Methods in Physics Research Section B
    StatePublished - 15 Feb 2017
    Event2016 - COSIRES: Computer Simulation of Radiation Effects in Solids - Loughborough
    Duration: 19 Jun 201624 Jun 2016

    Cite this