An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

In the near surface of plasma facing materials, high concentrations of hydrogen and helium isotopes can build up, which will interact with the point defects resulting from the bombardment of the surface as well as with the impurities of the materials. It is important to develop an understanding of the evolution of W microstructure in such conditions and to be able to model this evolution. The task is very complex, as many elements have to be included in the model which must be all parameterized correctly. Isochronal annealings experiments are simple experiments which can help in the making of more complicated models. In this work, an object Kinetic Monte Carlo technique parameterized on ab initio calculations as been used to model He desorption in W. The He atoms and the self interstitial atoms have been found to be very mobile but they can bind quite strongly with impurities such as carbon or molybdenum atoms. The evolution of the number of defects in the Kinetic Monte Carlo simulation was found to be in good agreement with the resistivity changes observed during an He desorption experiment of above threshold He implantation in a thin wire of tungsten. (C) 2008 Elsevier B.V. All rights reserved.