Jacob Chapman Pui-Wai Ma Sergei Dudarev
Fundamental flaws in the Heisenberg Hamiltonian are highlighted in the context of its application to BCC Fe, including the particular issues arising when modelling lattice defects. Exchange integrals are evaluated using the magnetic force theorem. The bilinear exchange coupling constants are calculated for all the interacting pairs of atomic ma…
PublishedArtem Lunev Vadim Zborovskii Teymur Aliev Robert Heymer Olga Vilkhivskaya
PULsE (Processing Unit for Laser Flash Experiments) is a software suite for processing data generated by a variety of laser flash analysis instruments. It is highly customisable and allows adjusting to the finest experimental detail, including but not limited to electromagnetic interferences, non-uniform laser heating and detection, and coupled …
PreprintD. Nguyen-Manh J.S. Wrobel M. Klimenkov M.J. Lloyd L. Messina S.L. Dudarev
Understanding how properties of materials change due to nuclear transmutations is a major challenge for the design of structural components for a fusion power plant. In this study, by combining a first-principles matrix Hamiltonian approach with thermodynamic integration we investigate quasisteady state configurations of multi-component alloys, …
PreprintGreg Bailey Mark Gilbert Olga Vilkhivskaya
The public perception of fusion power is that it will provide a clean source of abundant nuclear energy. This is not wholly accurate. Currently planned fusion reactors will use the deuterium-tritium (DT) reaction for power generation. This reaction produces 14 MeV neutrons which, as they cannot be magnetically confined, impinge upon the reactor str…
PreprintJan Fikar Robin Schaeublin Daniel R. Mason Duc Nguyen-Manh
The vacancies produced in high energy collision cascades of irradiated tungsten can form vacancy clusters or prismatic vacancy dislocation loops. Moreover, vacancy loops can easily transform into planar vacancy clusters. We investigated the formation energies of these three types of vacancy defects as a function of the number of vacancies using thr…
PublishedCarmen Makepeace
Fuel retention in the JET-ITER like wall (JET-ILW) has decreased by a factor of 20 compared to operation with a carbon wall [1]. The reduction in retention is due largely to the decrease in chemical erosion of the beryllium main chamber. A reduction in co-deposition of fuel with beryllium has previously been reported in the divertor [2]. However…
Preprint PublishedS. L. Dudarev P. Liu D. A. Andersson C. R. Stanek T. Ozaki C. Franchini
Unraveling the complexity of non-collinear magnetism in materials with strongly correlated electrons is a considerable task that requires developing and applying state of the art theories and computational methods. Using the Coury model Hamiltonian, which includes spin and orbital degrees of freedom and generalizes the collinear Stoner Hamiltonian,…
PreprintA. Widdowson J.P. Coad Y. Zayachuk I. Jepu E. Alves N. Catarino V. Corregidor M. Mayer S. Krat J. Likonen C. Rowley M. Zlobinski D. Douai K. Heinola A. Baron-Wiechec L. Avotina JET Contributors
This contribution outlines a strategy for assessing tritium (T) inventory in plasma facing components (PFC) during JET T operations. It is based on retention as a fraction of fuel injected in-vessel, currently reported as 0.24% for 2011-2012 operating period, in conjunction with the planned T pulse schedule providing fueling of 4 g T injected per d…
Preprint PublishedM. Boleininger M. Gallauer S. L. Dudarev T. D. Swinburne D. R. Mason D. Perez
The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and dislocation segment length. We derive an analytical expression for the velocity of dislocation glide, based on a s…
Preprint Published