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ORNL translates corrosion science expertise with new capabilities
The newest addition to Oak Ridge National Laboratory’s materials research facilities is set to host a ribbon-cutting ceremony later this year now that construction is complete and laboratories are being phased into operation. The 100,000-square-foot, multipurpose Translational Research Capability building at ORNL houses a broad spectrum of research ranging from quantum science to energy storage, with several of the largest labs in the building focused on materials challenges for applications including nuclear fission and fusion, like the ORNL’s Corrosion Lab.
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.