{"created":"2023-06-19T10:29:24.322204+00:00","id":9246,"links":{},"metadata":{"_buckets":{"deposit":"6310f66a-ad67-484d-83a1-e62b794a5926"},"_deposit":{"created_by":18,"id":"9246","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"9246"},"status":"published"},"_oai":{"id":"oai:muroran-it.repo.nii.ac.jp:00009246","sets":["216:346","216:407:330","46"]},"author_link":["5764","59460","56156"],"item_79_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2017-07-01","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"36","bibliographicPageStart":"29","bibliographicVolumeNumber":"466-467","bibliographic_titles":[{"bibliographic_title":"Journal of Non-Crystalline Solids","bibliographic_titleLang":"en"}]}]},"item_79_description_23":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_79_description_7":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"An interatomic potential for the classical molecular dynamics (MD) simulation of sodium silicate glasses was proposed. The ionic charges for this interatomic potential were determined by Mulliken population analysis via the density functional theory (DFT) calculation of alkali silicate crystals. The Si-O interatomic potential energy curve was determined by molecular orbital (MO) calculation of SiO2 +. The results of classical MD simulations using the new interatomic potential were consistent with the experimental trends in interatomic distance, thermal expansion coefficient, molar volume, Si-O-Si bond angle distribution, and Qn ratio with respect to the sodium composition of the silicate glass. The proposed interatomic potential improves the reproducibility of the ring size distribution in silicate glasses compared to conventional potentials.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_79_link_17":{"attribute_name":"出版者版へのリンク","attribute_value_mlt":[{"subitem_link_text":"10.1016/j.jnoncrysol.2017.03.041","subitem_link_url":"https://doi.org/10.1016/j.jnoncrysol.2017.03.041"}]},"item_79_link_5":{"attribute_name":"室蘭工業大学研究者データベースへのリンク","attribute_value_mlt":[{"subitem_link_text":"澤口 直哉（SAWAGUCHI Naoya）","subitem_link_url":"http://rdsoran.muroran-it.ac.jp/html/100000135_ja.html"},{"subitem_link_text":"佐々木 眞（SASAKI Makoto）","subitem_link_url":"http://rdsoran.muroran-it.ac.jp/html/100000235_ja.html"}]},"item_79_publisher_11":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"Elsevier","subitem_publisher_language":"en"}]},"item_79_relation_18":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.jnoncrysol.2017.03.041","subitem_relation_type_select":"DOI"}}]},"item_79_rights_19":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2017. 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_79_source_id_12":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0022-3093","subitem_source_identifier_type":"PISSN"}]},"item_79_source_id_14":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AA00703560","subitem_source_identifier_type":"NCID"}]},"item_79_subject_9":{"attribute_name":"日本十進分類法","attribute_value_mlt":[{"subitem_subject":"436","subitem_subject_scheme":"NDC"}]},"item_79_version_type_21":{"attribute_name":"著者版フラグ","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":[{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"山本, 優也","creatorNameLang":"ja"},{"creatorName":"YAMAMOTO, Yuya","creatorNameLang":"en"},{"creatorName":"ヤマモト, ユウヤ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[{}],"affiliationNames":[{},{}]}],"creatorNames":[{"creatorName":"澤口, 直哉","creatorNameLang":"ja"},{"creatorName":"SAWAGUCHI, Naoya","creatorNameLang":"en"},{"creatorName":"サワグチ, ナオヤ","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{}]},{"creatorAffiliations":[{"affiliationNameIdentifiers":[],"affiliationNames":[{"affiliationName":""}]}],"creatorNames":[{"creatorName":"佐々木,  眞","creatorNameLang":"ja"},{"creatorName":"SASAKI, Makoto","creatorNameLang":"en"},{"creatorName":"ササキ, マコト","creatorNameLang":"ja-Kana"}],"familyNames":[{},{},{}],"givenNames":[{},{},{}],"nameIdentifiers":[{},{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2019-07-01"}],"displaytype":"detail","filename":"JNonCry_466-467_29-36.pdf","filesize":[{"value":"648.4 kB"}],"format":"application/pdf","licensetype":"license_5","mimetype":"application/pdf","url":{"label":"JNonCry_466-467_29-36","objectType":"fulltext","url":"https://muroran-it.repo.nii.ac.jp/record/9246/files/JNonCry_466-467_29-36.pdf"},"version_id":"1d523824-8324-4836-a949-faebd6cb4532"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Molecular dynamics simulation","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Sodium silicate glasses","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"First-principles calculation","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Material design","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":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"A new determination method of interatomic potential for sodium silicate glass simulations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"A new determination method of interatomic potential for sodium silicate glass simulations","subitem_title_language":"en"}]},"item_type_id":"79","owner":"18","path":["46","346","330"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2017-06-27"},"publish_date":"2017-06-27","publish_status":"0","recid":"9246","relation_version_is_last":true,"title":["A new determination method of interatomic potential for sodium silicate glass simulations"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2024-02-14T03:14:49.890628+00:00"}