@article{oai:u-ryukyu.repo.nii.ac.jp:02012181,
 author = {Watanabe, Yoshiyuki and Iwakiri, Hirotomo and Murayoshi, Norihiko and Kato, Daiji and Tanigawa, Hiroyasu},
 journal = {Plasma and Fusion Research},
 month = {},
 note = {Formation energy of an isolated hydrogen atom in Cr23C6 has been investigated using atomisitic calculation based on the density functional theory. The lowest calculated formation energy is −0.48 eV, where a hydrogen atom is located at a trigonal bipyramidal site surrounded by five Cr lattice atoms, due to electric charge of atoms. Although it is a rough estimate, a comparison with the formation energy in Fe may imply that hydrogen retention in F82H steel can be much higher in Cr23C6-based precipitate than in Fe-based matrix., 論文},
 pages = {1205086-1--1205086-2},
 title = {Hydrogen Behavior in Primary Precipitate of F82H Steel : Atomistic Calculation Based on the Density Functional Theory},
 volume = {10},
 year = {2015}
}