M. Christensen E. Wimmer M.R. Gilbert C. Geller B. Dron D. Nguyen-Manh
Atomistic simulations using ab initio density functional theory and machine-learned potentials have been employed to map the structural, thermodynamic, and kinetic properties of the T-WOx system (x = 0 to 3). The simulations reveal that the T permeability is low in WO2 , intermediate in W, and relatively high in WO
G.W Bailey C. Dronne D. Foster M.R. Gilbert
While modern nuclear decay data can provide many details of a given nuclides β-decay modes (branching ratios, decay heating etc), knowledge of the emitted β-energy spectrum is often not included. This limitation hampers the use of decay data in some analysis, such as β-spectrometry of irradiated material, prediction of β-decay Bremsstrahlung…
PublishedL. Reali M.R. Gilbert M. Boleininger S.L. Dudarev
Neutrons interacting with atomic nuclei in most of the materials included in the current fusion reactor designs—notably tungsten, ferritic and stainless steels, copper alloys—generate a γ-photon flux that is comparable in magnitude and e…
Preprint PublishedP.A. Ferreirós S.O. von Tiedemann N. Parkes D. Gurah D.J.M. King P. Norman M.R. Gilbert A.J. Knowles
Refractory high-entropy alloys (RHEAs) with high melting points and low neutron absorption cross-section are sought for generation-IV fission and fusion reactors. A high throughput computational screening tool, Alloy Search and Predict (ASAP), was used to identify promising RHEA candidates from over 1 million four-element equimolar combinations. Th…
Preprint PublishedMark Gilbert
Nuclear data, describing neutron reaction probabilities (cross sections) and decay behaviour, are critical to the design and operation of fusion experiments and future fusion power plants. Equally vital, are the inventory codes that use the data to predict neutron-induced activation and transmutation of materials, which will define the radiologica…
Preprint PublishedShu Huang Ryan Kerr Samuel Murphy Mark R. Gilbert Jaime Marian
We present a numerical model to predict oxide scale growth on tungsten surfaces under exposure to oxygen at high temperatures. The model captures the formation of four thermodynamically-compatible oxide sublayers, WO2, WO2.72, WO2.9, and WO3, on top of the metal substrate. Oxide layer growth is simulated by tracking the oxide/oxide and oxide/metal …
PreprintYichen Qian Mark R. Gilbert Lucile Dezerald Duc Nguyen-Manh David Cereceda
Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. However, t…
Preprint PublishedS. Von Tiedemann D Collins M. Gilbert I. Kodeli
Predictions of material activity in commercial fusion conditions predominantly rely on computational methods, due to a lack of data on long-term e ects of high-energy neutron irradiation on structural steels. Consequently, this could result in a bias due to uncertainties in nu…
Preprint PublishedL. Reali M.R. Gilbert M. Boleininger S.L. Dudarev
Effects of neutron irradiation on materials are often interpreted in terms of atomic recoils, initiated by neutron impacts and producing crystal lattice defects. We find that, in addition, there is a remarkable two-step process, strongly pronounced in heavy elements, involving the generation of energetic γ-photons in non-elastic collisions of n…
PublishedMegha Sanjeeva Mark R. Gilbert Samuel T. Murphy
The transfer of heat through the breeder region of a future fusion reactor is a key component of its thermal efficiency. Development of advanced ceramic breeder materials based on Li2TiO3 seek to exploit its ability to accommodate significant non-stochiometry, however, it is not clear how deviations for the 50:50 mix of Li2O and TiO2 will affect…
Preprint