{"created":"2021-03-01T06:18:03.542953+00:00","id":11182,"links":{},"metadata":{"_buckets":{"deposit":"2bb7c6b2-fc38-4815-b95e-0db78de87164"},"_deposit":{"id":"11182","owners":[],"pid":{"revision_id":0,"type":"depid","value":"11182"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00011182","sets":["320:1092:1093"]},"author_link":["33825"],"item_1618209983323":{"attribute_name":"助成情報","attribute_value_mlt":[{"subitem_award_numbers":{"subitem_award_number":"08650815","subitem_award_uri":"https://kaken.nii.ac.jp/ja/grant/KAKENHI-PROJECT-08650815"},"subitem_award_titles":[{"subitem_award_title":"分子軌道計算に基づいて評価したニッケル基合金の高温腐食特性","subitem_award_title_language":"ja"}],"subitem_funder_identifiers":{"subitem_funder_identifier":"https://doi.org/10.13039/501100001691","subitem_funder_identifier_type":"Crossref Funder"},"subitem_funder_names":[{"subitem_funder_name":"日本学術振興会","subitem_funder_name_language":"ja"}]}]},"item_19_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1998-03","bibliographicIssueDateType":"Issued"}}]},"item_19_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"ニッケル基超合金の高温腐食特性の基本的な理解と、耐高温腐食性の目安となる基本的なパラメ-タを得る目的で、仮想的な合金クラスタ-を用いてDV-Xα 分子軌道計算を行うとともに、NaClとNa_2SO_4それぞれの溶融塩を用いた実証実験を行った。計算に用いたクラスタ-は、塩素に対する合金効果を調べるために用いたNaClを乗せたニッケル合金クラスタ-、およびSO_4に対する合金元素の効果を調べるために用いたイオウ(S)と酸素(O)の化合物を付着させたニッケル合金クラスタ-である。それぞれのクラスタ-において、ニッケル合金中の一つのニッケル(Ni)を3d,4d,5d遷移金属元素 (M)と置換して合金効果を調べた。その結果、以下のことが示唆された。 (1)遷移金属元素MとNiとの結合次数Bo(M-Ni)と、Mと塩素との結合次数Bo(M-Cl)との比、Bo(M-Cl)/Bo(Ni-M)を採った結果、塩素に対して有効な合金元素は鉄、コバルト、銅であることが示唆された。この結果は、酸素ポテンシャルの低いアルゴン雰囲気中で行ったNaCl溶融塩に対するニッケル基合金の腐食実験の結果とよく一致していた。 (2)酸素とイオウを含むクラスタ-を用いた計算から、イオウが酸素と強く相互作用する結果、遷移金属を含むニッケル酸化物の安定性が変化し、結果としてニッケル合金の耐食性に影響するものと考えられた。この観点から、SO_4に対する有効合金元素はMo、Reであることが示唆された。 (3)NaCl溶融塩の実験結果、塩素に対する腐食挙動は酸素ポテンシャルに大きく影響されることがわかった。","subitem_description_language":"ja","subitem_description_type":"Abstract"}]},"item_19_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"科学研究費補助金 研究種目:基盤研究(C)(2) 課題番号:08650815 研究代表者:村田 純教 研究期間:1996-1997年度","subitem_description_language":"ja","subitem_description_type":"Other"}]},"item_19_identifier_60":{"attribute_name":"URI","attribute_value_mlt":[{"subitem_identifier_type":"HDL","subitem_identifier_uri":"http://hdl.handle.net/2237/13054"}]},"item_19_relation_40":{"attribute_name":"シリーズ","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"科学研究費補助金報告書;基盤研究(C)(2);08650815"}]}]},"item_19_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_19_text_14":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_text_value":"application/pdf"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"村田, 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resistance","subitem_subject_scheme":"Other"},{"subitem_subject":"nickel alloys","subitem_subject_scheme":"Other"},{"subitem_subject":"高温腐食性","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"分子軌道計算に基づいて評価したニッケル基合金の高温腐食特性","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"分子軌道計算に基づいて評価したニッケル基合金の高温腐食特性","subitem_title_language":"ja"}]},"item_type_id":"19","owner":"1","path":["1093"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2010-04-01"},"publish_date":"2010-04-01","publish_status":"0","recid":"11182","relation_version_is_last":true,"title":["分子軌道計算に基づいて評価したニッケル基合金の高温腐食特性"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T05:08:57.269497+00:00"}