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Playing the “bad guy” to enhance next-generation safety
Sometimes, cops and robbers is more than just a kid’s game. At the Department of Energy’s national laboratories, researchers are channeling their inner saboteurs to discover vulnerabilities in next-generation nuclear reactors, making sure that they’re as safe as possible before they’re even constructed.
K. O. E. Henriksson, K. Nordlund, A. Krasheninnikov, J. Keinonen
Fusion Science and Technology | Volume 50 | Number 1 | July 2006 | Pages 43-57
Technical Paper | doi.org/10.13182/FST06-A1219
Articles are hosted by Taylor and Francis Online.
The role of self-trapping and defect trapping of hydrogen and helium implanted into tungsten has been investigated using density functional theory (DFT) calculations, molecular dynamics simulations, and kinetic Monte Carlo simulations (KMCSs). The potential energy curves of hydrogen or helium pairs were obtained by molecular dynamics, and the energy of the most essential states was checked with DFT. Under assumptions of bubble formation due to trapping by similiar impurity atoms (self-trapping) or defects, KMCSs were carried out using parameters from implantation experiments. The results indicate that self-trapping plays no (or a very small) role in hydrogen bubble formation, whereas helium bubbles form due to strong self-trapping.