{"created":"2023-05-15T14:48:22.013791+00:00","id":66275,"links":{},"metadata":{"_buckets":{"deposit":"5bd39ede-d534-4dd9-8a17-46b4869963c0"},"_deposit":{"created_by":1,"id":"66275","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"66275"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00066275","sets":["10:29"]},"author_link":["652180","652181","652179","652182"],"item_10005_date_7":{"attribute_name":"発表年月日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2016-10-26","subitem_date_issued_type":"Issued"}]},"item_10005_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"常温常圧の水では、水素結合の存在により、固体の水の局所構造、すなわち一つの水分子の周りに他の水分子が正四面体の頂点方向に存在する構造がある程度残っている。このような局所構造は、昇温や加圧によって次第に消失する。この変化をX線回折および第一原理シミュレーションで調べる場合、前者は波数範囲が狭く、後者は実空間の範囲が狭く、波数空間でも実空間でも両者を正しく比較することは難しい。そこで、第一原理シミュレーションの結果を実験結果の解析条件に合わせて変形して、両者を比較することを試みた。両者の一致は常温常圧より高温高圧の条件でよりよかった。","subitem_description_type":"Abstract"}]},"item_10005_description_6":{"attribute_name":"会議概要（会議名, 開催地, 会期, 主催者等）","attribute_value_mlt":[{"subitem_description":"第57回高圧討論会","subitem_description_type":"Other"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"metadata only access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_14cb"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"片山, 芳則"}],"nameIdentifiers":[{"nameIdentifier":"652179","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"池田, 隆司"}],"nameIdentifiers":[{"nameIdentifier":"652180","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"片山 芳則","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"652181","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"池田 隆司","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"652182","nameIdentifierScheme":"WEKO"}]}]},"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":"conference object","resourceuri":"http://purl.org/coar/resource_type/c_c94f"}]},"item_title":"高温高圧水のX線回折と第一原理シミュレーションの比較","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"高温高圧水のX線回折と第一原理シミュレーションの比較"}]},"item_type_id":"10005","owner":"1","path":["29"],"pubdate":{"attribute_name":"公開日","attribute_value":"2017-04-13"},"publish_date":"2017-04-13","publish_status":"0","recid":"66275","relation_version_is_last":true,"title":["高温高圧水のX線回折と第一原理シミュレーションの比較"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T20:50:46.387111+00:00"}