{"created":"2021-03-01T06:37:34.358967+00:00","id":29385,"links":{},"metadata":{"_buckets":{"deposit":"da274a10-f2dc-4ea6-b6f8-b85f3b2f77ba"},"_deposit":{"id":"29385","owners":[],"pid":{"revision_id":0,"type":"depid","value":"29385"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00029385","sets":["320:321:322"]},"author_link":["96461","96462","96463","96464","96465","96466","96467","96468"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2019-10-24","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"121766","bibliographicVolumeNumber":"181","bibliographic_titles":[{"bibliographic_title":"Polymer","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We combined two reverse mapping methods, a predetermined fragment database and fragment rotation, to generate atomistic configurations from coarse-grained structures. The combined method together with molecular dynamics simulations was applied to simulate perfluorosulfonic acid (PFSA) membranes with large length scales and to explore the origin of fracture under a uniaxial tensile loading. Through the analysis of voids in the deformed membrane, we found that void growth with tensile loading takes place at the boundary of the hydrophobic and hydrophilic regions, which may be the origin of the fracture in the PFSA membrane. This study demonstrates an efficient reverse mapping method, which is useful for simulating proton exchange membranes with realistic chain lengths.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"ファイル公開：2021-10-24","subitem_description_language":"ja","subitem_description_type":"Other"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1016/j.polymer.2019.121766","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"author"}]},"item_10_source_id_61":{"attribute_name":"ISSN（print）","attribute_value_mlt":[{"subitem_source_identifier":"0032-3861","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"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":"Kuo, An-Tsung","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96461","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Miyazaki, Yusuke","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96462","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Jang, Changwoon","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96463","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Miyajima, Tatsuya","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96464","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Urata, Shingo","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96465","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nielsen, Steven O.","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96466","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okazaki, Susumu","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96467","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Shinoda, Wataru","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"96468","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":"2021-10-24"}],"displaytype":"detail","filename":"MS.pdf","filesize":[{"value":"4.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"MS","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/29385/files/MS.pdf"},"version_id":"5dc76878-15ee-4ef5-b1d0-1cb026076a89"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Proton exchange membrane","subitem_subject_scheme":"Other"},{"subitem_subject":"Fuel cell","subitem_subject_scheme":"Other"},{"subitem_subject":"Perfluorosulfonic acid","subitem_subject_scheme":"Other"},{"subitem_subject":"Molecular dynamics simulation","subitem_subject_scheme":"Other"},{"subitem_subject":"Coarse grained molecular dynamics simulation","subitem_subject_scheme":"Other"},{"subitem_subject":"Reverse mapping","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":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["322"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2020-03-10"},"publish_date":"2020-03-10","publish_status":"0","recid":"29385","relation_version_is_last":true,"title":["Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:22:36.088372+00:00"}