{"created":"2023-07-27T07:00:11.528740+00:00","id":60030,"links":{},"metadata":{"_buckets":{"deposit":"f57616e1-8879-4d59-9321-54a8a5690e79"},"_deposit":{"created_by":18,"id":"60030","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"60030"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00060030","sets":["2812:2813:2837"]},"author_link":["92386","16526"],"item_9_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"1999-03-08","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"2p.","bibliographicVolumeNumber":"1995 – 1996","bibliographic_titles":[{"bibliographic_title":"平成8(1996)年度 科学研究費補助金 基盤研究(C) 研究成果報告書概要"},{"bibliographic_title":"1996 Fiscal Year Final Research Report Summary","bibliographic_titleLang":"en"}]}]},"item_9_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Kihara, Kuniaki"}],"nameIdentifiers":[{"nameIdentifier":"16526","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"70019503","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=70019503"},{"nameIdentifier":"70019503","nameIdentifierScheme":"研究者番号","nameIdentifierURI":"https://nrid.nii.ac.jp/nrid/1000070019503"}]}]},"item_9_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"本研究は詳細な結晶構造解析結果とラマン散乱等の分光法的データを結合することにより最も重要な鉱物の一つである石英とその同形物質における相転移前後の構造変化、転移時の格子不安定化の機構、物性の揺らぎ等について、総合的な観点から明らかにする事を目的として計画されたものである。2年間の研究期間において、必ずしも全ての計画(特に分光的法データの集積)が達成されたわけではないが、格子の動的側面を明らかにするための多くのソフトウエアの開発と石英型物質の中から既に得られていた石英以外のベルリナイト(AIPO_4)とGaPO_4についての詳細な結晶構造研究を行った。ソフトウエアとしては格子力学計算と分子動力学(Molecular dynamics, MD)計算結果を解析するための計算機プログラム群CRYSTALを作成、整備し、主としてブルリナイトについての計算及び解析を行った。\nCRYSTALは5つのプログラムユニット,SDSTR,MDPDF,ORDRP,DTRANS及びNOMODEからなり、夫々MD計算結果を入力し、散乱強度と動的構造因子の計算、原子の確率密度関数と平均2乗変位の計算、転移に伴う秩序変数の評価、ORDERPの出力を図示、表示するための加工、及び基準モード解析の計算を行う。ベルリナイト(AIPO_4)に関するMD計算結果をこれらの解析用プログラムで解析した結果、転移に無秩序型が関与する事が示され、本研究代表者によるX線解析結果や、石英について他の研究者によって最近発表されたHyper Raman散乱や赤外吸収の研究結果とは異なる見解をサポートする事になった。現在更に、MD計算信頼性を高めるため、集積時間を延長して、再計算を続行中である。","subitem_description_type":"Abstract"},{"subitem_description":"This study has been projected to establish the atomic views about the mechanism of structure transition and fluctuation of related physical properties in quartz and its isostructural compounds, by combinatorial application of diffraction and spectroscopic techniques. Although two years were not long enough to perform all the projected subjects, especially spectroscopic experiments, several powerful computer programs were developed to analyze position-time data provided by usual molecular dynamics calculations.\nDetailed crystal structure analyzes of AlPO_4 and GaPO_4, both having the quartz type structures, were also completed for single crystal intensity data obtained at different temperatures.\nThe software package CRYSTAL has five program-units, SDSTR, MDPDF, ORDERP, DTRANS and NOMODE, each executed by teading in data from MD calculations, to calculate scattering intensities (for neutron or X-ray diffraction), dynamical structure factors, atomic probability density functions, atomic mean-square displacements, order parameters and finally normal mode analysis (still under development), respectively. In application of these programs to the MD results for berlinite AlPO_4, an order-disorder type mechanism was found to play important role in the alpha-betastructure transition in this mineral. This result is so important and still preliminary at present, but is not consistent with recent studies such as X-ray results (by the present author), hyper Raman results and hard mode infrared absorption results and so on. The results of the MD calculations must be examined for their reliability, and then some long-term calculations for MD are currently undertaken.","subitem_description_type":"Abstract"}]},"item_9_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"研究課題/領域番号:07640637, 研究期間(年度):1995 – 1996","subitem_description_type":"Other"},{"subitem_description":"出典：研究課題「石英及び関連物質の相転移: X線単結晶解析とラマン分光法による研究」課題番号07640637\n（KAKEN：科学研究費助成事業データベース（国立情報学研究所）） \n（https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-07640637/076406371996kenkyu_seika_hokoku_gaiyo/）を加工して作成","subitem_description_type":"Other"}]},"item_9_description_5":{"attribute_name":"提供者所属","attribute_value_mlt":[{"subitem_description":"金沢大学理学部","subitem_description_type":"Other"}]},"item_9_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00066281","subitem_identifier_reg_type":"JaLC"}]},"item_9_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/search/?qm=70019503"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/search/?qm=70019503","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07640637/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07640637/","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-07640637/076406371996kenkyu_seika_hokoku_gaiyo/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-07640637/076406371996kenkyu_seika_hokoku_gaiyo/","subitem_relation_type_select":"URI"}}]},"item_9_version_type_25":{"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_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"木原, 國昭"}],"nameIdentifiers":[{"nameIdentifier":"92386","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"70019503","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=70019503"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2022-06-09"}],"displaytype":"detail","filename":"SC-PR-KIHARA-K-kaken 1999-2p.pdf","filesize":[{"value":"91.6 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"SC-PR-KIHARA-K-kaken 1999-2p.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/60030/files/SC-PR-KIHARA-K-kaken 1999-2p.pdf"},"version_id":"a91fb707-5c63-45dd-af85-3d423a16a069"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"石英及び関連物質の相転移: X線単結晶解析とラマン分光法による研究","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"石英及び関連物質の相転移: X線単結晶解析とラマン分光法による研究"},{"subitem_title":"Structure transitions in silica minerals-a joint atudy of X-ray diffraction and computer simulation","subitem_title_language":"en"}]},"item_type_id":"9","owner":"18","path":["2837"],"pubdate":{"attribute_name":"公開日","attribute_value":"2022-06-09"},"publish_date":"2022-06-09","publish_status":"0","recid":"60030","relation_version_is_last":true,"title":["石英及び関連物質の相転移: X線単結晶解析とラマン分光法による研究"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2024-07-01T06:39:14.600228+00:00"}