Iodine Atom Diffusion in SiC and Zirconium with First-Principles Calculations
Autor: | Wei Xiao, Liucheng Liu, Dan Shao, Yingying Li, Rui Tu, Huailin Li, Ruixuan Han |
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Rok vydání: | 2016 |
Předmět: |
Iodine atom
Nuclear and High Energy Physics Zirconium Materials science Inorganic chemistry chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 010305 fluids & plasmas Condensed Matter::Materials Science Nuclear Energy and Engineering chemistry 0103 physical sciences Physics::Atomic and Molecular Clusters Physical chemistry Diffusion (business) 0210 nano-technology |
Zdroj: | Nuclear Technology. 195:192-203 |
ISSN: | 1943-7471 0029-5450 |
Popis: | Iodine atom interstitial configurations and diffusion in bulk β-SiC and α-Zr are calculated using first-principles calculations and the nudged elastic band method. The formation energy of an I inte... |
Databáze: | OpenAIRE |
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