2024-03-29T14:56:34Z
https://u-ryukyu.repo.nii.ac.jp/oai
oai:u-ryukyu.repo.nii.ac.jp:02012181
2023-08-03T05:32:50Z
1642838163960:1642838338003
1642838403551:1642838405037
Hydrogen Behavior in Primary Precipitate of F82H Steel : Atomistic Calculation Based on the Density Functional Theory
Watanabe, Yoshiyuki
Iwakiri, Hirotomo
Murayoshi, Norihiko
Kato, Daiji
Tanigawa, Hiroyasu
hydrogen
F82H
carbide precipitate
density functional theory
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
http://purl.org/coar/resource_type/c_6501
一般社団法人プラズマ・核融合学会
The Japan Society of Plasma Science and Nuclear Fusion Research
2015
VoR
http://hdl.handle.net/20.500.12000/45005
1880-6821
AA12346675
Plasma and Fusion Research
10
1205086-2
1205086-1
eng
https://www.jstage.jst.go.jp/article/pfr/10/0/10_1205086/_article/-char/en
https://doi.org/10.1585/pfr.10.1205086
open access
The Japan Society of Plasma Science and Nuclear Fusion Research