{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1390283659854371968.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.2477/jccj.2019-0041"}},{"identifier":{"@type":"URI","@value":"https://www.jstage.jst.go.jp/article/jccj/18/5/18_2019-0041/_pdf"}},{"identifier":{"@type":"NAID","@value":"130007802547"}}],"dc:title":[{"@language":"en","@value":"Diffusion and Dissociation of Water on Forsterite Surface"},{"@language":"ja","@value":"フォルステライト表面における水分子の分解とプロトン拡散"}],"dc:language":"ja","description":[{"type":"abstract","notation":[{"@language":"en","@value":"<p>To investigate the effects of forsterite structure on processes of H<sub>2</sub>O decomposition and proton diffusion, we performed molecular dynamics calculations on forsterites in glassy and crystalline states. The result shows that the decomposition rate of H<sub>2</sub>O on forsterite in the glassy state is higher than that in crystalline state in a temperature range of 200 to 400 K. Furthermore, the decomposed proton permeates into the internal part of glassy forsterite through hopping, whereas no permeation was observed for the crystalline state. These results suggest that the glassy structure of forsterite is an important factor for chemical evolution processes in interstellar spaces.</p>"},{"@language":"ja","@value":"<p>To investigate the effects of forsterite structure on processes of H<sub>2</sub>O decomposition and proton diffusion, we performed molecular dynamics calculations on forsterites in glassy and crystalline states. The result shows that the decomposition rate of H<sub>2</sub>O on forsterite in the glassy state is higher than that in crystalline state in a temperature range of 200 to 400 K. Furthermore, the decomposed proton permeates into the internal part of glassy forsterite through hopping, whereas no permeation was observed for the crystalline state. These results suggest that the glassy structure of forsterite is an important factor for chemical evolution processes in interstellar spaces.</p>"}],"abstractLicenseFlag":"disallow"}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1410283659854371969","@type":"Researcher","personIdentifier":[{"@type":"NRID","@value":"9000406383471"}],"foaf:name":[{"@language":"en","@value":"KUBO Ayane"},{"@language":"ja","@value":"久保 文音"}],"jpcoar:affiliationName":[{"@language":"ja","@value":"明治大学理工学部応用化学科，〒214-8571 神奈川県川崎市多摩区東三田 1-1-1"},{"@language":"en","@value":"Department of Applied Chemistry, Meiji University, Kawasaki 214-8571, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1410283659854371968","@type":"Researcher","personIdentifier":[{"@type":"NRID","@value":"9000406383472"}],"foaf:name":[{"@language":"en","@value":"NISHIZAWA Junya"},{"@language":"ja","@value":"西澤 隼哉"}],"jpcoar:affiliationName":[{"@language":"ja","@value":"明治大学理工学部応用化学科，〒214-8571 神奈川県川崎市多摩区東三田 1-1-1"},{"@language":"en","@value":"Department of Applied Chemistry, Meiji University, Kawasaki 214-8571, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1410283659854371970","@type":"Researcher","foaf:name":[{"@language":"en","@value":"IKEDA-FUKAZAWA Tomoko"},{"@language":"ja","@value":"深澤 倫子"}],"jpcoar:affiliationName":[{"@language":"ja","@value":"明治大学理工学部応用化学科，〒214-8571 神奈川県川崎市多摩区東三田 1-1-1"},{"@language":"en","@value":"Department of Applied Chemistry, Meiji University, Kawasaki 214-8571, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"13471767"},{"@type":"LISSN","@value":"13471767"},{"@type":"EISSN","@value":"13473824"}],"prism:publicationName":[{"@language":"en","@value":"Journal of Computer Chemistry, Japan"},{"@language":"en","@value":"J. Comput. Chem. Jpn."}],"dc:publisher":[{"@language":"en","@value":"Society of Computer Chemistry, Japan"},{"@language":"ja","@value":"日本コンピュータ化学会"}],"prism:publicationDate":"2019","prism:volume":"18","prism:number":"5","prism:startingPage":"202","prism:endingPage":"204"},"reviewed":"false","dcterms:accessRights":"http://purl.org/coar/access_right/c_abf2","url":[{"@id":"https://www.jstage.jst.go.jp/article/jccj/18/5/18_2019-0041/_pdf"}],"availableAt":"2019","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=Molecular%20dynamics%20calculation","dc:title":"Molecular dynamics calculation"},{"@id":"https://cir.nii.ac.jp/all?q=Forsterite%20glass","dc:title":"Forsterite glass"},{"@id":"https://cir.nii.ac.jp/all?q=Forsterite%20crystal","dc:title":"Forsterite crystal"},{"@id":"https://cir.nii.ac.jp/all?q=Amorphous%20ice","dc:title":"Amorphous ice"},{"@id":"https://cir.nii.ac.jp/all?q=Surface","dc:title":"Surface"},{"@id":"https://cir.nii.ac.jp/all?q=Molecular%20dynamics%20calculation","dc:title":"Molecular dynamics calculation"},{"@id":"https://cir.nii.ac.jp/all?q=Forsterite%20glass","dc:title":"Forsterite glass"},{"@id":"https://cir.nii.ac.jp/all?q=Forsterite%20crystal","dc:title":"Forsterite crystal"},{"@id":"https://cir.nii.ac.jp/all?q=Amorphous%20ice","dc:title":"Amorphous ice"},{"@id":"https://cir.nii.ac.jp/all?q=Surface","dc:title":"Surface"}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360567182038307840","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structures of surface and interface of amorphous ice"}]},{"@id":"https://cir.nii.ac.jp/crid/1360567183876849280","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"XANES spectra of forsterite in crystal, surface, and amorphous states"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094160217088","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Surface structures and properties of forsterite in crystalline and glassy states"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995695635968","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Cosmic Silicates"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107369673748480","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Vitreous forsterite (Mg<sub>2</sub>SiO<sub>4</sub>): Synthesis, structure, and thermochemistry"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670320171544320","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Die Berechnung optischer und elektrostatischer Gitterpotentiale"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233270432236288","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Computer \"Experiments\" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules"}]},{"@id":"https://cir.nii.ac.jp/crid/1390564238076578688","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@language":"ja","@value":"水分子の吸着に伴うフォルステライトガラス表面の構造変化"},{"@language":"en","@value":"Effects of H<sub>2</sub>O Adsorption on Surface Structure of Forsterite Glass"}]},{"@id":"https://cir.nii.ac.jp/crid/2051433317064615680","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structure and properties of forsterite-MgSiO3 liquid interface : molecular dynamics study"}]}],"dataSourceIdentifier":[{"@type":"JALC","@value":"oai:japanlinkcenter.org:2007655440"},{"@type":"CROSSREF","@value":"10.2477/jccj.2019-0041"},{"@type":"CIA","@value":"130007802547"},{"@type":"OPENAIRE","@value":"doi_dedup___::3654fa81a56a08c3ce84d495d60ecc48"}]}