Molecular dynamics study of the bulk temperature effect on primary radiation damage in uranium dioxide

• Published in: Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Vol. 352; pp. 135 - 139
• Main Authors: Martin, G., Sabathier, C., Wiktor, J., Maillard, S.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.06.2015
• Subjects: Cascade; Cascades; Computer simulation; Damage; Irradiation; Light water reactors; Molecular dynamics; Oxides; Radiation damage; Temperature; Uranium dioxide; Irradiation; Molecular dynamics; Temperature; Uranium dioxide; Cascade
• ISSN: 0168-583X; 1872-9584
• DOI: 10.1016/j.nimb.2014.12.008

The effect of bulk temperature on the primary damage induced by a displacement cascade was investigated in uranium dioxide using classical molecular dynamics simulations. In this study, the Morelon potentials were used to model the middle-range interactions between the atoms that constitute the host matrix during the radiation events. Cascades were initiated by accelerating a uranium primary knock-on atom at 10keV inside a perfect UO2 lattice at a temperature between 700K and 1800K, a range which comprises in-pile temperatures of oxide fuels in light water reactors in standard operating conditions. Cascade overlap sequences were also simulated at 700K and 1400K in order to study the radiation damage accumulation in the oxide fuel. This study reveals the maximum damage level which the material can accommodate for decreases with the temperature. Furthermore the direct formation of vacancy clusters under irradiation is considerably slowed down above 1000K, notably during cascade overlap sequences.