{"created":"2023-06-19T09:14:25.130211+00:00","id":26604,"links":{},"metadata":{"_buckets":{"deposit":"b960e271-fa4a-4955-9235-ea9993036a4b"},"_deposit":{"created_by":1,"id":"26604","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"26604"},"status":"published"},"_oai":{"id":"oai:kumadai.repo.nii.ac.jp:00026604","sets":["448:449"]},"author_link":["120453","155681","155726"],"item_16_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2011-12-11","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"22","bibliographicPageStart":"224202","bibliographicVolumeNumber":"84","bibliographic_titles":[{"bibliographic_title":"Physical Review B : Condensed Matter and Materials Physics"}]}]},"item_16_creator_3":{"attribute_name":"別言語の著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"大村, 訓史"}],"nameIdentifiers":[{"nameIdentifier":"120453","nameIdentifierScheme":"WEKO"}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[{"affiliationNameIdentifier":"","affiliationNameIdentifierScheme":"ISNI","affiliationNameIdentifierURI":"http://www.isni.org/isni/"}],"affiliationNames":[{"affiliationName":"","affiliationNameLang":"ja"}]}],"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"}],"familyNames":[{"familyName":"Shimojo","familyNameLang":"en"},{"familyName":"下條","familyNameLang":"ja"},{"familyName":"シモジョウ","familyNameLang":"ja-Kana"}],"givenNames":[{"givenName":"Fuyuki","givenNameLang":"en"},{"givenName":"冬樹","givenNameLang":"ja"},{"givenName":"フユキ","givenNameLang":"ja-Kana"}],"nameIdentifiers":[{"nameIdentifier":"155681","nameIdentifierScheme":"WEKO"}]}]},"item_16_description_17":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"},{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_16_description_46":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"論文(Article)","subitem_description_type":"Other"}]},"item_16_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"We study the pressure dependence of the structural and electronic properties of liquid AsS by ab initio\nmolecular dynamics simulations.We confirm that liquid AsS consists of As4S4 molecules at ambient pressure, as\nin the crystalline state.With increasing pressure, a structural transition from molecular to polymeric liquid occurs\nnear 2 GPa, which is eventually followed by metallization. The pressure dependence of the density and diffusion\ncoefficients changes qualitatively with this transition. We find that, during metallization in the polymeric phase\nat higher pressures, the remnants of covalent interactions between atoms play an important role in the dynamics,\ni.e., the As-S bond length becomes longer with increasing pressure and the diffusion coefficients have a local\nmaximum near 5 GPa. When the pressure approaches about 15 GPa, the covalent nature of the liquid becomes\nquite weak. These results explain recent experiments on the pressure dependence of the viscosity.","subitem_description_type":"Other"}]},"item_16_description_77":{"attribute_name":"URL","attribute_value_mlt":[{"subitem_description":"http://prb.aps.org/abstract/PRB/v84/i22/e224202","subitem_description_type":"Other"}]},"item_16_publisher_36":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Physical Society"}]},"item_16_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isIdenticalTo","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1103/PhysRevB.84.224202","subitem_relation_type_select":"DOI"}}]},"item_16_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© American Physical Society 2011"}]},"item_16_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1098-0121","subitem_source_identifier_type":"ISSN"}]},"item_16_subject_20":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"420","subitem_subject_scheme":"NDC"}]},"item_16_text_18":{"attribute_name":"形態","attribute_value_mlt":[{"subitem_text_value":"879385 bytes"},{"subitem_text_value":"58319 bytes"}]},"item_16_text_47":{"attribute_name":"資源タイプ・ローカル","attribute_value_mlt":[{"subitem_text_value":"雑誌掲載論文"}]},"item_16_text_48":{"attribute_name":"資源タイプ・NII","attribute_value_mlt":[{"subitem_text_value":"Journal Article"}]},"item_16_text_49":{"attribute_name":"資源タイプ・DCMI","attribute_value_mlt":[{"subitem_text_value":"text"}]},"item_16_text_50":{"attribute_name":"資源タイプ・ローカル表示コード","attribute_value_mlt":[{"subitem_text_value":"01"}]},"item_16_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":[{"creatorAffiliations":[{"affiliationNameIdentifiers":[{"affiliationNameIdentifier":"","affiliationNameIdentifierScheme":"ISNI","affiliationNameIdentifierURI":"http://www.isni.org/isni/"}],"affiliationNames":[{"affiliationName":"","affiliationNameLang":"ja"}]}],"creatorNames":[{"creatorName":"大村, 訓史","creatorNameLang":"en"},{"creatorName":"オオムラ, サトシ","creatorNameLang":"ja-Kana"},{"creatorName":"Ohmura, Satoshi","creatorNameLang":"en"}],"familyNames":[{"familyName":"大村","familyNameLang":"en"},{"familyName":"オオムラ","familyNameLang":"ja-Kana"},{"familyName":"Ohmura","familyNameLang":"en"}],"givenNames":[{"givenName":"訓史","givenNameLang":"en"},{"givenName":"サトシ","givenNameLang":"ja-Kana"},{"givenName":"Satoshi","givenNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"155726","nameIdentifierScheme":"WEKO"}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[{"affiliationNameIdentifier":"","affiliationNameIdentifierScheme":"ISNI","affiliationNameIdentifierURI":"http://www.isni.org/isni/"}],"affiliationNames":[{"affiliationName":"","affiliationNameLang":"ja"}]}],"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"}],"familyNames":[{"familyName":"Shimojo","familyNameLang":"en"},{"familyName":"下條","familyNameLang":"ja"},{"familyName":"シモジョウ","familyNameLang":"ja-Kana"}],"givenNames":[{"givenName":"Fuyuki","givenNameLang":"en"},{"givenName":"冬樹","givenNameLang":"ja"},{"givenName":"フユキ","givenNameLang":"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":"PhysRevB.84.224202_l-AsS-underP.pdf","filesize":[{"value":"879.4 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PhysRevB.84.224202_l-AsS-underP.pdf","url":"https://kumadai.repo.nii.ac.jp/record/26604/files/PhysRevB.84.224202_l-AsS-underP.pdf"},"version_id":"d4167f53-9b96-4d71-bb22-7e13c8e0e227"}]},"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":"Polymerization transition in liquid AsS under pressure: An ab initio molecular dynamics study","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Polymerization transition in liquid AsS under pressure: An ab initio molecular dynamics study"}]},"item_type_id":"16","owner":"1","path":["449"],"pubdate":{"attribute_name":"公開日","attribute_value":"2012-07-30"},"publish_date":"2012-07-30","publish_status":"0","recid":"26604","relation_version_is_last":true,"title":["Polymerization transition in liquid AsS under pressure: An ab initio molecular dynamics study"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-09-19T01:19:07.753925+00:00"}