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Article Dans Une Revue Journal of Nuclear Materials Année : 2016

Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

Résumé

Displacement cascades have been calculated in two ordered alloys (Ni 3 Al and UO 2) in the molecular dynamics framework using the CMDC (Cell Molecular Dynamics for Cascade) code (J.-P. Crocombette and T. Jourdan, Nucl. Instrum. Meth. B 352, 9 (2015)) for energies ranking between 0.1 and 580 keV. The defect production has been compared to the prediction of the NRT (Norgett, Robinson and Torrens) standard. One observes a decrease with energy of the number of defects compared to the NRT prediction at intermediate energies but, unlike what is commonly observed in elemental solids, the number of produced defects does not always turn to a linear variation with ballistic energy at high energies. The fragmentation of the cascade into subcascades has been studied through the analysis of surviving defect pockets. It appears that the common knowledge equivalence of linearity of defect production and sub-cascades division does not hold in general for alloys. We calculate the average number of subcascades and average number of defects per subcascades as a function of ballistic energy. We find an unexpected variety of behaviors for these two average quantities above the threshold for subcascade formation.
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Dates et versions

hal-02429493 , version 1 (24-03-2020)

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Laurence Luneville, Jean-Paul Crocombette, Laurent van Brutzel, David Simeone, Laurence Lunéville. Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division. Journal of Nuclear Materials, 2016, 474, pp.134-142. ⟨10.1016/j.jnucmat.2016.03.020⟩. ⟨hal-02429493⟩
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