Computer simulation of H and He effects in fusion reactor materials

摘要: Fusion power is an appealing source of clean and abundant energy. The radiation resistance reactor materials one the greatest obstacles on path towards commercial fusion power. These are subject to a harsh environment, cannot fail mechanically or contaminate plasma. Moreover, for plant be economically viable, must withstand long operation times, with little maintenance. will contain hydrogen helium, due deposition from plasma nuclear reactions because energetic neutron irradiation. first wall divertor materials, carbon tungsten in existing planned test reactors, intense bombardment low energy deuterium which erodes modifies surface. All including structural steel, suffer irradiation high neutrons, causing displacement cascade damage. Molecular dynamics simulation valuable tool studying phenomena, such as surface onset primary damage cascades. governing mechanisms atomic level, hence not easily studied experimentally. In order model interatomic potentials needed describe interaction between atoms. this thesis, new were developed tungsten-carbon-hydrogen system iron-helium chromium-helium. Thus, study previously inaccessible systems was made possible, particular effect H He based experimental ab initio data literature, well density-functional theory calculations performed work. As ferritic iron-chromium 10% Cr studied. difference Fe FeCr shown negligible threshold energies. properties small He–vacancy clusters also investigated. found more mobile dissociate rapidly than assumed, small.