UKAEA Journals

Showing 1 - 7 of 7 Journals Results

Prediction of material performance in fusion reactor environments relies on computational modelling, and will continue to do so until the first generation of fusion power plants come on line and allow long-term behaviour to be observed. In the meantime, the mode…


Dislocation climb is an important high temperature process of metals plasticity, responsible for phenomena such as creep, swelling, or hardening. Climb is defined by the ability of dislocations to leave their original glide plane by interaction with point defects. As such, dislocation climb is controlled by point defect diffusion/absorption/emis…

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Materials subjected to neutron irradiation will suffer from a build-up of damage caused by the displacement cascades initiated by nuclear reactions. Previously, the main “measure” of this damage accumulation has been through the displacements per atom (dpa) index, which has known limitations. This paper describes a rigorous methodology to calcu…

Preprint Published

In body-centered-cubic (bcc) crystals, 1/2{111} screw dislocations exhibit high intrinsic lattice friction as a consequence of their nonplanar core structure, which results in a periodic energy landscape known as the Peierls potential UP. The main features determining plastic flow, including its stress and temperature dependences, can be derived di…


We have developed empirical interatomic potentials for studying radiation defects and dislocations in tungsten. The potentials use the embedded atom method formalism and are fitted to a mixed database, containing various experimentally measured properties of tungsten and ab initio formation energies of defects, as well as ab initio interatomic forc…


The low-temperature plastic yield of a -Fe single crystals is known to display a strong temperature dependence and to be controlled by the thermally activated motion of screw dislocations. In this paper, we present molecular dynamics simulations of 1 2 111{112} screw dislocation motion as a function of temperature and stress in order to extract mob…


In the traditional picture of plasticity in bcc metals, edge dislocations have been assumed to play a minor role due to their high mobility with respect to screw dislocations, which then control plastic flow. 1 2 111{110} edge dislocations indeed fit this description, as it has been shown by way of numerous atomistic simulations. However, 1 2 111{1…