Molecular dynamics evaluation of the impact of Ga, He, and vacancy concentration on the mechanical properties of Ga-stabilized δ-Pu

The effects of self-irradiation on the mechanical properties of Ga-stabilized δ-Pu are investigated by means of classical molecular dynamics simulations using a modified embedded-atom method interatomic potential. The impact that variations in the concentration of Ga, He, and vacancies have on the e...

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Bibliographic Details
Published in:Journal of nuclear materials 2011-07, Vol.414 (3), p.471-478
Main Authors: Dremov, V.V., Karavaev, A.V., Sapozhnikov, F.A., Vorobyova, M.A., Preston, D.L., Zocher, M.A.
Format: Article
Language:English
Subjects:
Bulk modulus
Gallium
Mechanical properties
Modulus of elasticity
Molecular dynamics
Shear modulus
Simulation
Strain rate
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Summary:The effects of self-irradiation on the mechanical properties of Ga-stabilized δ-Pu are investigated by means of classical molecular dynamics simulations using a modified embedded-atom method interatomic potential. The impact that variations in the concentration of Ga, He, and vacancies have on the elastic properties (Young’s modulus, Poisson’s ratio, shear modulus, and bulk modulus) of Ga-stabilized δ-Pu is determined through CMD simulation. The effect that variations in these concentrations have on plastic flow is assessed at strain rates of 10 7–10 10 s −1. Comparison is made to experimental data.
ISSN:0022-3115
1873-4820
DOI:10.1016/j.jnucmat.2011.05.038