A comparison of empirical potential models for the simulation of dislocations in uranium dioxide
Allbwn ymchwil: Cyfraniad at gyfnodolyn › Erthygl › adolygiad gan gymheiriaid
Fersiynau electronig
Dangosydd eitem ddigidol (DOI)
The presence of dislocations, resulting from high levels of irradiation, in nuclear fuel may have a profound effect on the fuel's properties. Here atomistic simulations, employing empirical pair potentials, are used to examine the core structures of a series of dislocations in UO2 with Burgers vector 1/2(110) and their relative stabilities are assessed by comparing their line energies. As there are a large number of empirical pair potential models available for UO2 a critical assessment of the efficacy of the potential models is also presented. There is a high level of agreement between the different pair potential models with all those tested predicting the same ordering of the dislocation stabilities i.e. screw <(100(110) <111)(110) <110(110) which is in excellent agreement with experiment. (C) 2013 Elsevier Ltd. All rights reserved.
Iaith wreiddiol | Anadnabyddus |
---|---|
Tudalennau (o-i) | 27-32 |
Nifer y tudalennau | 6 |
Cyfnodolyn | Progress in Nuclear Energy |
Cyfrol | 72 |
Rhif y cyfnodolyn | SI |
Dynodwyr Gwrthrych Digidol (DOIs) | |
Statws | Cyhoeddwyd - 1 Ebr 2014 |
Cyhoeddwyd yn allanol | Ie |