{"created":"2023-07-27T06:53:17.097209+00:00","id":47706,"links":{},"metadata":{"_buckets":{"deposit":"a6d08d11-f0ad-4925-b395-835d0211988d"},"_deposit":{"created_by":3,"id":"47706","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"47706"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00047706","sets":["934:941:943:3701"]},"author_link":["1103","1703","85144"],"item_7_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2018","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"96","bibliographicPageStart":"87","bibliographicVolumeNumber":"62","bibliographic_titles":[{"bibliographic_title":"The Science Reports of Kanazawa University"}]}]},"item_7_creator_34":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"三浦, 伸一"}],"nameIdentifiers":[{},{},{}]}]},"item_7_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We have performed molecular dynamics calculations on fully occupied and one\nvacancy systems of hydrogen-filled ices II (C1) and Ic (C2) with temperature controlled at\n291 K. The pressure of 1 GPa and 4 GPa for C1 and C2, respectively, was adopted, where the\nfast diffusion of guest hydrogen molecules was experimentally observed. In our calculations,\nhopping processes between lattice sites were observed only in one vacancy system of C1\nand C2, indicating the importance of occupation defect for the fast diffusion. The calculated\nguest diffusion coefficients for one vacancy systems were found to be in good agreement\nwith experimental results. The guest molecules in C1 show highly anisotropic diffusion,\nmoving only along the optical c axis. On the other hand, the hydrogen molecules in C2 are\nfound to diffuse in space isotropically.","subitem_description_type":"Abstract"}]},"item_7_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00054029","subitem_identifier_reg_type":"JaLC"}]},"item_7_publisher_17":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Institute of Science and Engineering, Kanazawa University "}]},"item_7_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"http://scirep.w3.kanazawa-u.ac.jp/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"http://scirep.w3.kanazawa-u.ac.jp/","subitem_relation_type_select":"URI"}}]},"item_7_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"2433-040X","subitem_source_identifier_type":"ISSN"}]},"item_7_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Arman, Yudha"}],"nameIdentifiers":[{"nameIdentifier":"85144","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Miura, Shinichi"}],"nameIdentifiers":[{"nameIdentifier":"1103","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"10282865","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=10282865"},{"nameIdentifier":"39524200","nameIdentifierScheme":"研究者番号","nameIdentifierURI":"https://nrid.nii.ac.jp/nrid/1000039524200"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-05-21"}],"displaytype":"detail","filename":"Sci_Rep62-87-96.pdf","filesize":[{"value":"2.6 MB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"Sci_Rep62-87-96.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/47706/files/Sci_Rep62-87-96.pdf"},"version_id":"10fc7aa9-bb3b-4bac-a854-0a8d0128b38f"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Filled Ice Ic and II","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"C1","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"C2","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"hydrogen guest","subitem_subject_language":"en","subitem_subject_scheme":"Other"}]},"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":"Molecular dynamics study of guest hydrogen molecules in filled ices II and Ic","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Molecular dynamics study of guest hydrogen molecules in filled ices II and Ic"}]},"item_type_id":"7","owner":"3","path":["3701"],"pubdate":{"attribute_name":"公開日","attribute_value":"2019-05-21"},"publish_date":"2019-05-21","publish_status":"0","recid":"47706","relation_version_is_last":true,"title":["Molecular dynamics study of guest hydrogen molecules in filled ices II and Ic"],"weko_creator_id":"3","weko_shared_id":3},"updated":"2024-03-06T00:49:59.242813+00:00"}