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[{"key": "dc.contributor.advisor", "value": "Kalikka, Janne", "language": null, "element": "contributor", "qualifier": "advisor", "schema": "dc"}, {"key": "dc.contributor.advisor", "value": "Koskinen, Pekka", "language": null, "element": "contributor", "qualifier": "advisor", "schema": "dc"}, {"key": "dc.contributor.author", "value": "J\u00e4\u00e4sk\u00f6, Hanna", "language": "", "element": "contributor", "qualifier": "author", "schema": "dc"}, {"key": "dc.date.accessioned", "value": "2024-05-27T10:16:28Z", "language": null, "element": "date", "qualifier": "accessioned", "schema": "dc"}, {"key": "dc.date.available", "value": "2024-05-27T10:16:28Z", "language": null, "element": "date", "qualifier": "available", "schema": "dc"}, {"key": "dc.date.issued", "value": "2024", "language": null, "element": "date", "qualifier": "issued", "schema": "dc"}, {"key": "dc.identifier.uri", "value": "https://jyx.jyu.fi/handle/123456789/95238", "language": null, "element": "identifier", "qualifier": "uri", "schema": "dc"}, {"key": "dc.description.abstract", "value": "Inorganic oxide glasses have numerous applications, and they are used both in technology\nand industry. Inorganic oxide glasses are considered to be brittle, having little to no plastic\ndeformation because of the amorphous structure of glass. Plasticity has been observed\nin aluminum oxide and densified silica, but little is known about the plasticity in boron\noxide. Understanding the mechanical behavior of different oxide glasses can offer deeper\ninsight into the applications of glasses.\nIn this master\u2019s thesis, the mechanical properties of boron oxide (B2O3) glass were\nstudied with classical molecular dynamics simulations using LAMMPS. Here, it is shown\nthat boron oxide can plastically deform up to 50% tensile strain at room temperature\nwithout a fracture. The mechanisms for the plasticity were analysed, and a significant\namount of bond switching occurred during the simulation. The reason for this was found\nto be the improper three-dimensional structure that has weak van der Waals bonds holding\nthe planar BO3 building blocks together. This allowed for the deformation of the structure\nwithout a fracture. The plasticity occurred in small and random regions, and on average the\ndeformation was quite minimal. Moreover, boron oxide exhibits larger elastic deformation\ncompared to other oxide glasses due to its planar structure.", "language": "en", "element": "description", "qualifier": "abstract", "schema": "dc"}, {"key": "dc.description.abstract", "value": "Ep\u00e4orgaanisilla laseilla on lukuisia k\u00e4ytt\u00f6kohteita ja ne ovat t\u00e4rkeit\u00e4 teknologiassa\nja teollisuudessa. Ne s\u00e4rkyv\u00e4t helposti, eik\u00e4 niill\u00e4 esiinny plastista deformaatiota lasin\namorfisen rakenteen vuoksi. Alumiinioksidissa sek\u00e4 tihennetyss\u00e4 piioksidissa on kuitenkin\nhavaittu esiintyv\u00e4n plastisuutta, mutta boorioksidin plastisuutta ei ole tutkittu. Eri\noksidien mekaanisen k\u00e4ytt\u00e4ytymisen ymm\u00e4rt\u00e4minen voi tarjota syvemm\u00e4n k\u00e4sityksen\nlasien sovelluksista.\nT\u00e4ss\u00e4 pro gradu-tutkielmassa tutkittiin boorioksidi (B2O3) lasin mekaanisia ominaisuuksia klassisilla molekyylidynamiikkasimulaatioilla k\u00e4ytt\u00e4en LAMMPS:ia. Tuloksena\nhuomattiin, ett\u00e4 boorioksidi pystyi venym\u00e4\u00e4n plastisesti jopa 50% huoneenl\u00e4mm\u00f6ss\u00e4\nilman murtumaa. Plastisuuden syit\u00e4 tutkittiin ja merkitt\u00e4v\u00e4 m\u00e4\u00e4r\u00e4 sidosten vaihtumista\nhuomattiin tapahtuneen simulaation aikana. Syy t\u00e4lle on varsinaisen kolmiulotteisen\nrakenteen puuttuminen, mink\u00e4 takia heikot van der Waals sidokset pit\u00e4v\u00e4t tasomaisia\nBO3 rakennusosia kasassa. T\u00e4st\u00e4 johtuen boorioksidi pystyi venym\u00e4\u00e4n plastisesti ilman\nmurtumaa. Deformaatio tapahtui pieniss\u00e4 ja satunnaisissa alueissa ja oli keskim\u00e4\u00e4rin\nmelko pient\u00e4. Ty\u00f6ss\u00e4 huomattiin my\u00f6s, ett\u00e4 boorioksidilla oli suurempi elastinen venym\u00e4\nkuin muilla ep\u00e4orgaanisilla laseilla, joka johtuu boorioksidin tasomaisesta rakenteesta.", "language": "fi", "element": "description", "qualifier": "abstract", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Submitted by Paivi Vuorio (paelvuor@jyu.fi) on 2024-05-27T10:16:28Z\nNo. of bitstreams: 0", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Made available in DSpace on 2024-05-27T10:16:28Z (GMT). No. of bitstreams: 0\n Previous issue date: 2024", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.format.extent", "value": "59", "language": "", "element": "format", "qualifier": "extent", "schema": "dc"}, {"key": "dc.language.iso", "value": "eng", "language": null, "element": "language", "qualifier": "iso", "schema": "dc"}, {"key": "dc.rights", "value": "In Copyright", "language": "en", "element": "rights", "qualifier": null, "schema": "dc"}, {"key": "dc.subject.other", "value": "material physics", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "computational physics", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.title", "value": "Exploring the mechanical properties of B2O3 glass with classical molecular dynamics simulations", "language": "", "element": "title", "qualifier": null, "schema": "dc"}, {"key": "dc.type", "value": "master thesis", "language": null, "element": "type", "qualifier": null, "schema": "dc"}, {"key": "dc.identifier.urn", "value": "URN:NBN:fi:jyu-202405274001", "language": null, "element": "identifier", "qualifier": "urn", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Master\u2019s thesis", "language": "en", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Pro gradu -tutkielma", "language": "fi", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Faculty of Sciences", "language": "en", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Matemaattis-luonnontieteellinen tiedekunta", "language": "fi", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Department of Physics", "language": "en", "element": "contributor", "qualifier": "department", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Fysiikan laitos", "language": "fi", "element": "contributor", "qualifier": "department", "schema": "dc"}, {"key": "dc.contributor.organization", "value": "University of Jyv\u00e4skyl\u00e4", "language": "en", "element": "contributor", "qualifier": "organization", "schema": "dc"}, {"key": "dc.contributor.organization", "value": "Jyv\u00e4skyl\u00e4n yliopisto", "language": "fi", "element": "contributor", "qualifier": "organization", "schema": "dc"}, {"key": "dc.subject.discipline", "value": "Physics", "language": "en", "element": "subject", "qualifier": "discipline", "schema": "dc"}, {"key": "dc.subject.discipline", "value": "Fysiikka", "language": "fi", "element": "subject", "qualifier": "discipline", "schema": "dc"}, {"key": "yvv.contractresearch.funding", "value": "0", "language": "", "element": "contractresearch", "qualifier": "funding", "schema": "yvv"}, {"key": "dc.type.coar", "value": "http://purl.org/coar/resource_type/c_bdcc", "language": null, "element": "type", "qualifier": "coar", "schema": "dc"}, {"key": "dc.rights.accesslevel", "value": "openAccess", "language": null, "element": "rights", "qualifier": "accesslevel", "schema": "dc"}, {"key": "dc.type.publication", "value": "masterThesis", "language": null, "element": "type", "qualifier": "publication", "schema": "dc"}, {"key": "dc.subject.oppiainekoodi", "value": "4021", "language": null, "element": "subject", "qualifier": "oppiainekoodi", "schema": "dc"}, {"key": "dc.subject.yso", "value": "molekyylidynamiikka", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.subject.yso", "value": "lasi", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.subject.yso", "value": "molecular dynamics", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.subject.yso", "value": "glass", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.rights.url", "value": "https://rightsstatements.org/page/InC/1.0/", "language": null, "element": "rights", "qualifier": "url", "schema": "dc"}]
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