Matthew 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 PublishedA. Hollingsworth M. Yu. Lavrentiev R. Watkins A. Davies S. Davies R. Smith D. R. Mason A. Baron-Wiechec Z. Kollo J. Hess I. Jepu K. Heinola J. Likonen K. Mizohata E. Meslin M.-F. Barthe A. Widdowson I. S. Grech K. Abraham A. McShee Y. Martynova M. Freisinger A. De Backer
A new facility to study the interaction of hydrogen isotopes with nuclear fusion relevant first wall materials, its retention and release, has been produced. The new facility allows implanting a range of gases into samples, including tritium. Accurate study of isotope effects, such as the isotopic exchange in damaged microstructure, has previously …
Preprint PublishedPui-Wai Ma S. L. Dudarev
CALANIE (CALculation of ANIsotropic Elastic energy) program evaluates an elastic interaction correction to the total energy of a localized object, for example a defect in a solid material simulated using an {it ab initio} or molecular statics approach, resulting from the use of periodic boundary conditions. The correction, computed using a fully el…
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 …
PublishedA.J. Cackett C.D. Hardie J.J.H. Lim E. Tarleton
We analyse spherical nanoindentation of single crystal copper using two different indenter tips of radii 7.4 and 27 um. The surface deformation surrounding the indents was measured using atomic force microscopy and the elastic rotation fields under the indents were measured using electron diffraction and transmission techniques. Using the measured …
Preprint PublishedGeorge Fulton Artem Lunev
Tungsten, a plasma-facing material for future fusion reactors, may be exposed to air during abnormal operation or accidents. Only limited information is available on the evolution of related oxide phases. This work addresses the effect of substrate orientation on structural variations of tungsten oxides. Annealing experiments in an argon-oxygen atm…
Preprint PublishedJ. Chapman Pui-Wai Ma S. L. Dudarev
Magnetic plasma confinement is a key element of fusion tokamak power plant design, yet changes in magnetic properties of alloys and steels occurring under neutron irradiation are often overlooked. We perform a quantitative study exploring how irradiation-induced precipitation affects magnetic properties of Fe-Cr alloys. Magnetic properties are simu…
Preprint 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 PublishedMikhail Lavrentiev N.L. Allan C. Wragg
Extensive Monte Carlo simulations of lithium oxide, Li2O, an important material for fusion applications over a wide range of temperatures have been performed. In the low temperature range 1 – 500 K, quantum corrections to the enthalpy and unit cell size were determined. We show that the classical Monte Carlo underestimates both these q…
Preprint Published