title: Atomistic modelling of residual stress at UO2 surfaces.
abstract: Modelling oxide surface behaviour is of both technological and fundamental interest. In particular, in the case of the UO2 system, which is of major importance in the nuclear industry, it is essential to account for the link between microstructure and macroscopic mechanical properties. Indeed micromechanical models at the mesoscale need to be supplied by the energetic and stress data calculated at the nanoscale. In this framework, we present a theoretical study, coupling an analytical model and thermostatistical simulation to investigate the modifications induced by the presence of a surface regarding atomic relaxation and energetic and stress profiles. In particular, we show that the surface effective thickness as well as the stress profile, which are required by micromechanical approaches, are strongly anisotropic.
authors.affiliation: Institut de Radioprotection et de Sûreté Nucléaire, IRSN, Bât. 702, CE Cadarache, BP3-13115 Saint Paul-Lez-Durance Cedex, France.
authors.forename: Jack
authors.initials: J
authors.lastname: Arayro
authors.forename: Guy
authors.initials: G
authors.lastname: Tréglia
authors.forename: Fabienne
authors.initials: F
authors.lastname: Ribeiro