http://oa.upm.es/35412/7/INVE_MEM_2013_192429.pdf

Recent progress in research on tungsten materials for nuclear fusion applications in Europe

We have developed empirical interatomic potentials for studying radiation defects and dislocations in tungsten. The potentials use the embedded atom method formalism and are fitted to a mixed database, containing various experimentally measured properties of tungsten and ab initio formation energies of defects, as well as ab initio interatomic forces computed for random liquid configurations. The availability of data on atomic force fields proves critical for the development of the new potentials. Several point and extended defect configurations were used to test the transferability of the potentials. The trends predicted for the Peierls barrier of the 1 h111i screw dislocation are in qualitative agreement with ab initio calculations, enabling quantitative comparison of the predicted kink-pair formation energies with experimental data. (Some figures may appear in colour only in the online journal)

https://iopscience.iop.org/article/10.1088/0953-8984/25/39/395502/pdf

Interatomic potentials for modelling radiation defects and dislocations in tungsten

Interatomic potentials for simulation of He bubble formation in W

Irradiation hardening of pure tungsten exposed to neutron irradiation

Tungsten (W) is considered to be one of the most promising plasma-facing materials (PFMs) for next-step fusion energy systems. However, as a PFM, W will be subjected to extremely high fluxes of low-energy hydrogen (H) isotopes, leading to retention of H isotopes and blistering in W, which will degrade the thermal and mechanical properties of W. Modelling and simulation are indispensable to understand the behaviour of H isotopes including dissolution, diffusion, accumulation and bubble formation, which can contribute directly to the design, preparation and application of W as a PFM under a fusion environment. This paper reviews the recent findings regarding the behaviour of H in W obtained via modelling and simulation at different scales.

https://iopscience.iop.org/article/10.1088/0029-5515/54/8/086001/pdf

Andrée Debacker

Papers

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model

Microstructure evolution of irradiated tungsten: Crystal effects in He and H implantation as modelled in the Binary Collision Approximation