Model calculation of positron states in tungsten containing hydrogen and helium

Abstract

Tungsten is a candidate material for plasma-facing first wall of a fusion power plant. Understanding of defects, tritium and helium behaviour in plasma facing materials [PFM] is an important issue for fusion reactor from viewpoints of its mechanical properties under neutron irradiation. Experiments with high-Z materials show that erosion of these materials under normal operation condition is considerably lower than the plasma induced erosion of low-Z materials like carbon or beryllium. Quantitative understanding of the experimental results for defects in tungsten needs a comprehensive theory of electron-positron interaction. The properties of defects in tungsten containing hydrogen or helium atoms have been investigated by model positron lifetime quantum-mechanical calculations. The electron wave functions have been obtained in the local density approximation LDA to the density functional theory DFT. On the bases of calculated results, the behaviour of vacancies, empty nano-voids and nano-voids with hydrogen and helium were discussed. It was established that hydrogen and helium in larger three-dimensional vacancy clusters in W change the annihilation characteristics dramatically. The hydrogen and helium atoms are trapped by lattice vacancies. These results provide physical insight for positron interactions in tungsten defects and can be used for prediction of hydrogen-H or helium-He4 and (tritium-H3) generation for the design of fusion reactors.