Jan 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 PublishedMatthew J. Lloyd Robert G. Abernethy Mark R. Gilbert Ian Griffiths Paul A. J. Bagot Duc Nguyen-Manh Michael P. Moody David E. J. Armstrong
High temperature, neutron irradiated single crystal tungsten, with a post irradiation composition of W-1.20±0.11at.%Re-0.11±0.05at.%Os-0.03±0.01at.%Ta was characterised using a combination of Atom Probe Tomography (APT) and Scanning Transmission Electron Microscopy (STEM). APT showed that within nanoscale clusters of Re/Os, the atomic density wa…
Preprint PublishedMark Fedorov Jan S. Wrobel Antonio Fernandez-Caballero Krzysztof J. Kurzydlowski Duc Nguyen-Manh
Multi-component alloy Fe-Cr-Mn-Ni is a promising new candidate system not only because of its potential application as structural materials beyond conventional austenitic steels but also for fundamental physics role played by Mn element in Fe-Cr-Ni based alloys. In this work, the phase stability of magnetic face-centered cubic (fcc) Fe-Cr-Mn-Ni sys…
Preprint PublishedK. Arakawa M.-C. Marinica S. Fitzgerald L. Proville D. Nguyen-Manh S. L. Dudarev P.-W. Ma T. D. Swinburne A. M. Goryaeva T. Yamada T. Amino S. Arai Y. Yamamoto K. Higuchi N. Tanaka H. Yasuda T. Yasuda H. Mori
The diffusion of defects in crystalline materials governs macroscopic behaviour in a wide range of processes, including alloying, precipitation, phase transformation, and creep. In real materials, intrinsic defects are unavoidably bound to static trapping centres such as impurity atoms, meaning that their diffusion is controlled by the de-trapping …
PublishedM.J. Lloyd R.G. Abernethy D.A.J. Armstrong P.A.J. Bagot M.P. Moody E. Martinez D. Nguyen-Manh
A viable fusion power station is reliant on the development of plasma facing materials that can withstand the combined effects of high temperature operation and high neutron doses. In this study we focus on W, the most promising candidate material. Re is the primary transmutation product and has been shown to induce embrittlement through cluster fo…
Preprint PublishedO. El-Atwani N. Li M. Li A. Devaraj M. Schneider D. Sobieraj J.S. Wrobel D. Nguyen-Manh S. A. Maloy E. Martinez
A novel W-based refractory high entropy alloy with outstanding radiation resistance has been developed. The alloy was grown as thin films showing a bimodal grain size distribution in the nanocrystalline and ultrafine regimes and a unique 4 nm lamella-like structure revealed by atom probe tomography (APT). Transmission electron microscopy (TEM) and …
Preprint PublishedA. De Backer D.R. Mason C. Domain D. Nguyen-Manh M.-C. Marinica L. Ventelon C.S. Becquart S.L. Dudarev
In a fusion tokamak, the plasma of hydrogen isotopes is in contact with tungsten at the surface of a divertor. In the bulk of the material, the hydrogen concentration profile tends towards dynamic equilibrium between the flux of incident ions and their trapping and release from defects, either native or produced by ion and neutron irradiation. The …
Preprint Published