Atomistic processes of carbon nanotube semiconductor-metal intramolecular junction formation were investigated using tight-binding molecular dynamics simulations and first-principles total energy calculations. It was shown that the junctions could be formed by the reconstruction of vacancy clusters via a series of generalized Stone-Wales transformations. The simulations suggested a mechanism for the synthesis of carbon nanotube semiconductor-metal intramolecular junctions having specific locations and controlled sizes. The simulation study also provided a microscopic explanation for superplastic deformation in single-wall carbon nanotubes. Formation of Carbon Nanotube Semiconductor-Metal Intramolecular Junctions by Self-Assembly of Vacancy Defects. G.D.Lee, C.Z.Wang, J.Yu, E.Yoon, N.M.Hwang, K.M.Ho: Physical Review B, 2007, 76[16], 165413