{"created":"2023-05-15T11:59:35.333779+00:00","id":6077,"links":{},"metadata":{"_buckets":{"deposit":"273f61a1-3207-4e74-bc8a-bdc769ddcb44"},"_deposit":{"created_by":3,"id":"6077","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"6077"},"status":"published"},"_oai":{"id":"oai:kyutech.repo.nii.ac.jp:00006077","sets":["8:9"]},"author_link":["24947","6613","24951","24949","24950"],"item_21_alternative_title_18":{"attribute_name":"その他のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"First-principles study on hydrogen diffusivity in BCC, FCC, and HCP iron"}]},"item_21_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018-07-10","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"10","bibliographicPageEnd":"5022","bibliographicPageStart":"5015","bibliographicVolumeNumber":"49","bibliographic_titles":[{"bibliographic_title":"Metallurgical and Materials Transactions A "}]}]},"item_21_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"The hydrogen diffusion behavior in BCC, FCC, and HCP iron has been investigated by means of first-principles calculations. Diffusion coefficients were estimated quantitatively from the migration energy derived by the Nudged elastic band method, and phonon calculations including the vibrations of all atoms at every stable and metastable site. Our calculations on the BCC structure show good agreement with those in the previous report. In the FCC structure as well, the calculated diffusion coefficients are in good agreement with experimental data. Our results suggest that the consideration of the antiferromagnetic state in FCC is important for the reproduction of experimental results. For the HCP structure, although there was a lack of systematic experimental results, our calculations predict that the diffusion coefficient is smaller than that in the case of the FCC sample. In the HCP lattice, there are two diffusion paths: one parallel to the c-axis and the other in the c-plane. The direction and the diffusion coefficient can be controlled by the tuning of c/a, which is the ratio of the lattice constants.","subitem_description_type":"Abstract"}]},"item_21_description_60":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"Journal Article","subitem_description_type":"Other"}]},"item_21_link_62":{"attribute_name":"研究者情報","attribute_value_mlt":[{"subitem_link_url":"https://hyokadb02.jimu.kyutech.ac.jp/html/330_ja.html"}]},"item_21_publisher_7":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Springer"}]},"item_21_relation_12":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1007/s11661-018-4815-9","subitem_relation_type_select":"DOI"}}]},"item_21_rights_13":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"The Minerals, Metals & Materials Society and ASM International. The final publication is available at Springer via https://doi.org/10.1007/s11661-018-4815-9."}]},"item_21_select_59":{"attribute_name":"査読の有無","attribute_value_mlt":[{"subitem_select_item":"yes"}]},"item_21_source_id_10":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA10987657","subitem_source_identifier_type":"NCID"}]},"item_21_source_id_8":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1073-5623","subitem_source_identifier_type":"ISSN"},{"subitem_source_identifier":"1543-1940","subitem_source_identifier_type":"ISSN"}]},"item_21_subject_16":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"436","subitem_subject_scheme":"NDC"}]},"item_21_text_28":{"attribute_name":"論文ID（連携）","attribute_value_mlt":[{"subitem_text_value":"10332786"}]},"item_21_text_36":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, Japan"},{"subitem_text_value":"Graduate School of Life Science and Systems Engineering, Kyushu Institute of Technology, Fukuoka, Japan"},{"subitem_text_value":"Department of Mechanical Engineering, Kyushu University, Fukuoka, Japan"},{"subitem_text_value":"Department of Mechanical Engineering, Kyushu University, Fukuoka, Japan"},{"subitem_text_value":"Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai, Japan"}]},"item_21_text_63":{"attribute_name":"連携ID","attribute_value_mlt":[{"subitem_text_value":"7494"}]},"item_21_version_type_58":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Hirata,  K."}],"nameIdentifiers":[{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"Iikubo, Satoshi","creatorNameLang":"en"},{"creatorName":"飯久保, 智","creatorNameLang":"ja"},{"creatorName":"イイクボ, サトシ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{},{}]},{"creatorNames":[{"creatorName":"Koyama,  M."}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Tsuzaki,  K."}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"Ohtani,  H."}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-07-10"}],"displaytype":"detail","filename":"10332786.pdf","filesize":[{"value":"2.0 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"10332786.pdf","url":"https://kyutech.repo.nii.ac.jp/record/6077/files/10332786.pdf"},"version_id":"a9d332a8-5bf0-4883-9d6b-51e91a561644"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"First-Principles Study on Hydrogen Diffusivity in BCC, FCC, and HCP Iron","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"First-Principles Study on Hydrogen Diffusivity in BCC, FCC, and HCP Iron"}]},"item_type_id":"21","owner":"3","path":["9"],"pubdate":{"attribute_name":"公開日","attribute_value":"2019-07-10"},"publish_date":"2019-07-10","publish_status":"0","recid":"6077","relation_version_is_last":true,"title":["First-Principles Study on Hydrogen Diffusivity in BCC, FCC, and HCP Iron"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2024-04-02T08:32:30.317527+00:00"}