D. 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, …
PreprintA. Litnovsky F. Klein X. Tan J. Schmitz J. W. Coenen C. Linsmeier J. Gonzalez-Julian M. Bram I. Povstugar T. Morgan Y. M. Gasparyan A. Suchkov D. Bachurina D. Nguyen-Manh M. Gilbert D. Sobieraj J. S. Wróbel P. Bittner A. Reuban
Self-passivating Metal Alloys with Reduced Thermo-oxidation (SMART) are under development for the primary application as plasma-facing materials of the first wall in a fusion DEMOnstration power plant (DEMO). SMART materials must combine the suppressed oxidation in case of an accident and an acceptable plasma performance during the regular operatio…
Preprint PublishedM. J. Lloyd A. J. London M. Gilbert C. S. Becquart C. Domain E. Martinez M. Moody P. A. J. Bagot D. Nguyen-Manh D.E. J. Armstrong
Tungsten is one the primary candidate materials for the high neutron flux, high temperature components of a future demonstrate fusion reactor. Despite this, there is a lack of data on W under fusion relevant neutron doses and irradiation temperatures. Transmutation reactions result in the production of Re and Os solute atoms, at a rate which is …
Preprint PublishedM. J. Lloyd E. Martinez L. Messina D. Nguyen-Manh
In this study, radiation-induced precipitation of transmutation products is addressed via the development of a new solute and vacancy concentration dependant Ising model for the W-Re-Os system. This new model includes interactions between both Os and Re atoms, thus facilitating more representative simulations of transmutation in fusion reactor comp…
Preprint PublishedA. Fernandez-Caballero E. Bousser S.M. Shubeita P.T. Wady Y.Gue Ram Krishna M. Gorley D. Nguyen-Manh P. M. Mummery E.J. Pickering
One of the key challenges for the development of high-performance fusion materials is to design materials capable of maintaining mechanical and structural integrity under the extreme levels of displacement damage, high temperature and transmutation rates. High-entropy alloys (HEAs) and other concentrated alloys have attracted attention with rega…
Preprint PublishedDamian Sobieraj Jan S. Wróbel Tomasz Rygier Krzysztof J. Kurzydłowski Osman El Atwani Arun Devaraj Enrique Martinez Saez Duc Nguyen-Manh
The development of High-Entropy Alloys (HEAs) focuses on exploring compositional regions in multicomponent systems with all alloy elements in equal or near-equal atomic concentrations. Initially it was based on the main idea that high mixing configurational entropy contributions to the alloy free energy could promote the formation of a single so…
Preprint PublishedJan S. Wrobel Marcin R. Zemla Duc Nguyen-Manh Par Olsson Luca Messina Christophe Domain Tomasz Wejrzanowski Sergei L. Dudarev
Point defects in body-centred cubic Fe, Cr and concentrated random magnetic Fe-Cr are investigated using density functional theory and theory of elasticity. The volume of a substitutional Cr atom in ferromagnetic bcc Fe is approximately 18% larger than the volume of a host Fe atom, whereas the volume of a substitutional Fe atom in antiferromagnetic…
Preprint PublishedAndrey Litnovsky Janina Schmitza Felix Klein Karen De Lannoyea Sophie Weckauf Arkadi Kreter Marcin Rasinski Jan W. Coenen Christian Linsmeier Jesus Gonzalez-Julian Martin Bram Ivan Povstugar Thomas Morgan Duc Nguyen-Manh Mark Gilbert Damjan Sobieraj Jan S. Wróbel
During an accident with loss-of-coolant and air ingress in DEMO, the temperature of tungsten first wall cladding may exceed 1000oC and remain for months leading to tungsten oxidation. The radioactive tungsten oxide can be mobilized to the environment at rates of 10 – 150 kg per hour. Smart tungsten-based alloys are under develop…
Preprint PublishedJan 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…
PublishedDaniel R. Mason Duc Nguyen-Manh Mihai-Cosmin Marinica Rebecca Alexander Sergei L. Dudarev
The low energy structures of irradiation-induced defects have been studied in detail, as these determine the available modes by which a defect can diffuse or relax. As a result, there are many studies concerning the relative energies of possible defect structures, and empirical potentials are commonly fitted to or evaluated with respect to these en…
Preprint Published