{"created":"2025-02-21T03:26:26.725632+00:00","id":2006607,"links":{},"metadata":{"_buckets":{"deposit":"7c74ab8d-2e85-4602-98c8-b2da582eb771"},"_deposit":{"created_by":41,"id":"2006607","owners":[41],"pid":{"revision_id":0,"type":"depid","value":"2006607"},"status":"published"},"_oai":{"id":"oai:hiroshima.repo.nii.ac.jp:02006607","sets":["1730444907710"]},"author_link":[],"item_1617186331708":{"attribute_name":"Title","attribute_value_mlt":[{"subitem_title":"Structural analysis of nano-water droplets: A molecular dynamics study","subitem_title_language":"en"}]},"item_1617186419668":{"attribute_name":"Creator","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Shima, Nanami","creatorNameLang":"en"}],"familyNames":[{"familyName":"Shima","familyNameLang":"en"}],"givenNames":[{"givenName":"Nanami","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Harada, Yoshihisa","creatorNameLang":"en"}],"familyNames":[{"familyName":"Harada","familyNameLang":"en"}],"givenNames":[{"givenName":"Yoshihisa","givenNameLang":"en"}]},{"creatorNames":[{"creatorName":"Takahashi, Osamu","creatorNameLang":"en"}],"familyNames":[{"familyName":"Takahashi","familyNameLang":"en"}],"givenNames":[{"givenName":"Osamu","givenNameLang":"en"}]}]},"item_1617186476635":{"attribute_name":"Access Rights","attribute_value_mlt":[{"subitem_access_right":"embargoed access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_f1cf"}]},"item_1617186499011":{"attribute_name":"Rights","attribute_value_mlt":[{"subitem_rights":"© 2024. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/","subitem_rights_language":"en"},{"subitem_rights":"This is not the published version. Please cite only the published version.","subitem_rights_language":"en"},{"subitem_rights":"この論文は出版社版ではありません。引用の際には出版社版をご確認、ご利用ください。","subitem_rights_language":"ja"}]},"item_1617186609386":{"attribute_name":"Subject","attribute_value_mlt":[{"subitem_subject":"Molecular dynamics simulation","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Water droplet","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Local structure","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Tetrahedrality","subitem_subject_language":"en","subitem_subject_scheme":"Other"}]},"item_1617186626617":{"attribute_name":"Description","attribute_value_mlt":[{"subitem_description":"Molecular dynamics simulations were performed on water droplets containing fewer than 400 molecules, exploring both, bulk and surface regions. The droplet model was evaluated using two order parameters: tetrahedrality, as defined by Errington et al., and g5, as defined by Cuthbertson et al. Comparisons were made with bulk water. Our findings revealed negative tetrahedrality for surface water molecules. Additionally, the correlation between the distance from the droplet center and g₅ indicated a decrease in the surface density of the droplet.","subitem_description_language":"en"},{"subitem_description":"This work was supported by a Grant-in-Aid for Scientific Innovation Area: Aquatic Functional Materials (grant number JP22H04550) and Grant-in-Aid for Scientific Research B (grant number JP23H018601) of JSPS KAKENHI.","subitem_description_language":"en","subitem_description_type":"Other"}]},"item_1617186643794":{"attribute_name":"Publisher","attribute_value_mlt":[{"subitem_publisher":"Elsevier","subitem_publisher_language":"en"}]},"item_1617186702042":{"attribute_name":"Language","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_1617186901218":{"attribute_name":"Funding Reference","attribute_value_mlt":[{"subitem_award_numbers":{"subitem_award_number":"22H04550","subitem_award_uri":"https://kaken.nii.ac.jp/ja/grant/KAKENHI-PUBLICLY-22H04550/"},"subitem_award_titles":[{"subitem_award_title":"水圏材料の軟Ｘ線分光理論計算による不均一構造の解明  公募研究","subitem_award_title_language":"ja"}],"subitem_funder_names":[{"subitem_funder_name":"日本学術振興会","subitem_funder_name_language":"ja"}]},{"subitem_award_titles":[{"subitem_award_title":"Elucidation of inhomogenious structure of aquatic functional materials using soft x-ray spectroscopy calculations","subitem_award_title_language":"en"}],"subitem_funder_names":[{"subitem_funder_name":"Japan Society for the Promotion of Science","subitem_funder_name_language":"en"}]}]},"item_1617187024783":{"attribute_name":"Page Start","attribute_value_mlt":[{"subitem_start_page":"141521"}]},"item_1617187056579":{"attribute_name":"Bibliographic Information","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2024-08-05","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"141521","bibliographicVolumeNumber":"852","bibliographic_titles":[{"bibliographic_title":"Chemical Physics Letters","bibliographic_titleLang":"en"}]}]},"item_1617258105262":{"attribute_name":"Resource Type","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_1617265215918":{"attribute_name":"Version Type","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_1617353299429":{"attribute_name":"Relation","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1016/j.cplett.2024.141521","subitem_relation_type_select":"DOI"}}]},"item_1617605131499":{"attribute_name":"File","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2026-08-05"}],"displaytype":"simple","fileDate":[{"fileDateType":"Available","fileDateValue":"2026-08-05"}],"filename":"ChemPhysLett_852_141521.pdf","filesize":[{"value":"1.2 MB"}],"mimetype":"application/pdf","url":{"objectType":"fulltext","url":"https://hiroshima.repo.nii.ac.jp/record/2006607/files/ChemPhysLett_852_141521.pdf"},"version_id":"6bda82a0-42c5-4cdf-8930-b3ef0afd11f4"}]},"item_1732771732025":{"attribute_name":"旧ID","attribute_value":"55858"},"item_1732772494514":{"attribute_name":"備考","attribute_value":"The full-text file will be made open to the public on 5 August 2026 in accordance with publisher's 'Terms and Conditions for Self-Archiving'"},"item_title":"Structural analysis of nano-water droplets: A molecular dynamics study","item_type_id":"40003","owner":"41","path":["1730444907710"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2024-12-16"},"publish_date":"2024-12-16","publish_status":"0","recid":"2006607","relation_version_is_last":true,"title":["Structural analysis of nano-water droplets: A molecular dynamics study"],"weko_creator_id":"41","weko_shared_id":-1},"updated":"2025-02-21T07:57:45.323157+00:00"}