{"created":"2023-06-19T09:12:42.024102+00:00","id":24567,"links":{},"metadata":{"_buckets":{"deposit":"de9037f7-875f-4945-8978-d8ef253e334e"},"_deposit":{"created_by":12,"id":"24567","owners":[12],"pid":{"revision_id":0,"type":"depid","value":"24567"},"status":"published"},"_oai":{"id":"oai:kumadai.repo.nii.ac.jp:00024567","sets":["448:538","585:614:1055"]},"author_link":["155786","155726","155681"],"item_15_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2010","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"292","bibliographicPageStart":"287","bibliographicVolumeNumber":"13","bibliographic_titles":[{"bibliographic_title":"Physics Reports of Kumamoto University","bibliographic_titleLang":"en"}]}]},"item_15_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"The structural and bonding properties of liquid ZnCl2 under pressure are investigated from first-principles molecular-dynamics simulations in the isobaric-isothermal ensemble. The pressure range covers from 0 to 80 GPa. It is shown that the ZnCl4^2- tetrahedra are considerably deformed under pressure with keeping the nearest-neighbor distance between Zn and Cl atoms almost constant. The average coordination number of Cl atoms around Zn atoms changes from 4 at 0 GPa to about 5 at about 10 Gpa, and increases monotonically with pressure. The Zn-Zn distance is nearly unchanged up to 10 GPa, and begins to decrease under further compression. On the other hand, the Cl-Cl distance with increasing pressure from ambient conditions.","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_15_publisher_36":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"熊本大学","subitem_publisher_language":"ja"}]},"item_15_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0303-4070","subitem_source_identifier_type":"PISSN"}]},"item_15_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA00774081","subitem_source_identifier_type":"NCID"}]},"item_15_subject_20":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"428","subitem_subject_scheme":"NDC"}]},"item_15_version_type_19":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Koura, Akihide","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155786","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Ohmura, Satoshi","creatorNameLang":"en"},{"creatorName":"大村, 訓史","creatorNameLang":"ja"},{"creatorName":"オオムラ, サトシ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155726","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shimojo, Fuyuki","creatorNameLang":"en"},{"creatorName":"下條, 冬樹","creatorNameLang":"ja"},{"creatorName":"シモジョウ, フユキ","creatorNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155681","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2020-03-02"}],"displaytype":"detail","filename":"PR0013_287-292.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PR0013_287-292.pdf","url":"https://kumadai.repo.nii.ac.jp/record/24567/files/PR0013_287-292.pdf"},"version_id":"fbec092f-a5d9-4dae-ab33-b7f6618c4e77"}]},"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":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Pressure Dependence of Structural and Electronic Properties of Liquid ZnCl2 : An Ab initio Molecular-Dynamics Study","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Pressure Dependence of Structural and Electronic Properties of Liquid ZnCl2 : An Ab initio Molecular-Dynamics Study","subitem_title_language":"en"}]},"item_type_id":"15","owner":"12","path":["538","1055"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2011-02-28"},"publish_date":"2011-02-28","publish_status":"0","recid":"24567","relation_version_is_last":true,"title":["Pressure Dependence of Structural and Electronic Properties of Liquid ZnCl2 : An Ab initio Molecular-Dynamics Study"],"weko_creator_id":"12","weko_shared_id":-1},"updated":"2023-10-17T06:41:16.695101+00:00"}