This study explores the diffusion of hydrogen (H) across the tungsten (bcc) - copper (hcp) W(001)/Cu(11-20) interface [1-3]. It combines DFT electronic structure calculations and kinetic modeling based on diffusion coefficients and macroscopic rate equations (MRE). The copper lattice reconstructs significantly near the interface, inducing complex energetics for hydrogen atoms inserted at the...
D. Nguyen-Manh a)*, K. Starkey b), M. Christensen b),
E. Wimmer b), C. Geller b) and M..R. Gilbert a)
a) Materials Division, United Kingdom Atomic Energy Authority, Culham Campus, Abingdon, OX14 3DB, United Kingdom
b) Materials Design, 42 Avenue Verdier, 92120 Montrouge, France
Tungsten is a promising plasma-facing material for future fusion power plants owing to several favourable...
In future fusion devices, the tritium retention and permeation in plasma facing components (PFCs) are important safety concerns. In order to predict the tritium retention and permeation during operation of a reactor, numerical modelling of tritium transport and trapping at defects can be done. This allows to know how much tritium atoms are retained in the wall and how much permeate to the...
A fundamental description of gas transport and retention in plasma-facing materials is crucial for tritium inventory modelling. During future reactor operations, the material microstructure is expected to evolve and reveal defects which act as “traps” for diffusing gas atoms, thereby compromising material performance. The classical formalism for gas diffusion and trapping is given by the...
The transport and retention of hydrogen isotopes, deuterium and tritium, in materials affect the economics and sustainability of the fusion fuel cycle, as well as the integrity of materials due to the detrimental effects of hydrogen and helium produced by the alpha decay of tritium. Therefore, accurately predicting the behavior and effects of hydrogen in materials used as reactor components...
Trap-diffusion modelling is of fundamental importance for the analysis of plasma-material interaction experiments (e.g. to extract information about hydrogen isotope trapping energies using thermal effusion spectroscopy) and is also indispensable to estimate tritium retention/permeation in future fusion devices.
Thus in the recent years a number of simulation codes have been developed...
To simulate neutron-induced defects, materials have been irradiated with Fe ions with an energy of 5.6 MeV at a temperature range of 250-500C and dose range of 3-50 dpa. The radiation defects have been investigated by transmission electron microscopy (TEM), energy-dispersive X-ray spectrometry (EDXS), atom probe tomography (APT) and positron annihilation spectroscopy (PALS). To decorate...
This contribution summarizes experimental and modeling studies of hydrogen retention in ion-implanted beryllium, focusing on the role of vacancy and self-interstitial atoms (SIA) dynamics during the implantation process. As the main modelling tool macroscopic rate equations (MRE) implemented in the CRDS code [1] and supported by density functional theory (DFT) calculations are used to simulate...
This study focuses on using a combination of surface characterization techniques to assess the response of advanced tungsten alloys and ultra-high temperature ceramics (UHTCs) to high-flux plasmas. While these materials are at an early stage of development, they potentially offer superior thermomechanical properties and microstructural stability relative to other existing candidate materials....
Fcc NixFe1-x single-crystal alloys are key model systems for studying defect evolution under self-ion irradiation at room temperature, with fluences ranging from 4 × 10¹³ to 2 × 10¹⁵ ions/cm² [1,2]. This study investigates the effects of irradiation-induced defects on the nanomechanical response of NiFe alloys through a combination of experimentally guided nanoindentation and atomistic...
