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[{"key": "dc.contributor.author", "value": "Koberidze, Manana", "language": null, "element": "contributor", "qualifier": "author", "schema": "dc"}, {"key": "dc.date.accessioned", "value": "2012-01-24T20:20:53Z", "language": "", "element": "date", "qualifier": "accessioned", "schema": "dc"}, {"key": "dc.date.available", "value": "2012-01-24T20:20:53Z", "language": "", "element": "date", "qualifier": "available", "schema": "dc"}, {"key": "dc.date.issued", "value": "2010", "language": null, "element": "date", "qualifier": "issued", "schema": "dc"}, {"key": "dc.identifier.other", "value": "oai:jykdok.linneanet.fi:1192640", "language": null, "element": "identifier", "qualifier": "other", "schema": "dc"}, {"key": "dc.identifier.uri", "value": "https://jyx.jyu.fi/handle/123456789/37243", "language": "", "element": "identifier", "qualifier": "uri", "schema": "dc"}, {"key": "dc.description.abstract", "value": "Current thesis presents computational studies of the torsional twist in single\r\nwalled carbon nanotubes (SWCNTs). Since SWCNTs can be viewed as rolled\r\nup graphene sheets, our aim is to explain their torsion constants via shear mod-\r\nulus of graphene in pristine, and single- and double vacancy cases. In addition,\r\nfundamental energy gap response to torsion is investigated. Calculations of\r\ndefected structures is computationally expensive as it requires larger simula-\r\ntion cell with large number of atoms. To reduce the cost of computations we\r\ntake the advantage of chiral symmetry of nanotubes instead of translational one,\r\nand faster performance of density-functional tight-binding method compared to\r\nother computational methods. Shear modulus calculations show that its value\r\napproaches that of graphene for large diameter tubes and is most sensitive to\r\nsize in case of armchair tubes. Vacancies diminish shear modulus for most of the\r\nnanotubes and concentration-induced decrease has linear character regardless\r\nof chirality. Studies on direction-dependent shearing of graphene reveals that in\r\nthe presence of double vacancy shear modulus has the biggest fluctuations from\r\nits average value compared to pristine and single vacancy instances. Torsion\r\nsignificantly modifies electronic structure as well - metallic tubes undergo tran-\r\nsition to semiconducting state, during which band gap change is linear, peaking\r\nand decreasing to zero again for most of the tubes. Results give the ground\r\nfor assumption that for large diameter tubes the peak values, reached during\r\ntorsion, converge.", "language": "", "element": "description", "qualifier": "abstract", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Submitted using Plone Publishing form by Manana Koberidze (makoberi) on 2012-01-24 20:20:51.832742. Form: Master's Thesis publishing form (1 author) (https://kirjasto.jyu.fi/publish-and-buy/publishing-forms/masters-thesis-publishing-form-1-author). JyX data:", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Submitted by jyx lomake-julkaisija (jyx-julkaisija@noreply.fi) on 2012-01-24T20:20:53Z\r\nNo. of bitstreams: 2\r\nURN:NBN:fi:jyu-201201241066.pdf: 3196728 bytes, checksum: 0cf61be6b383f74afe22a7465f96c642 (MD5)\r\nlicense.html: 4286 bytes, checksum: 2523e7c07d9fc5290064be9ec641b588 (MD5)", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.description.provenance", "value": "Made available in DSpace on 2012-01-24T20:20:53Z (GMT). No. of bitstreams: 2\r\nURN:NBN:fi:jyu-201201241066.pdf: 3196728 bytes, checksum: 0cf61be6b383f74afe22a7465f96c642 (MD5)\r\nlicense.html: 4286 bytes, checksum: 2523e7c07d9fc5290064be9ec641b588 (MD5)\r\n Previous issue date: 2010", "language": "en", "element": "description", "qualifier": "provenance", "schema": "dc"}, {"key": "dc.format.extent", "value": "48 sivua", "language": null, "element": "format", "qualifier": "extent", "schema": "dc"}, {"key": "dc.format.mimetype", "value": "application/pdf", "language": null, "element": "format", "qualifier": "mimetype", "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": "single-walled carbon nanotube", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "density-functional tight-binding", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "shear modulus", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "graphene", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.subject.other", "value": "vacancy", "language": "", "element": "subject", "qualifier": "other", "schema": "dc"}, {"key": "dc.title", "value": "Computational studies of torsional properties of single-walled carbon nanotubes", "language": null, "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-201201241066", "language": null, "element": "identifier", "qualifier": "urn", "schema": "dc"}, {"key": "dc.type.dcmitype", "value": "Text", "language": "en", "element": "type", "qualifier": "dcmitype", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Pro gradu -tutkielma", "language": "fi", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.type.ontasot", "value": "Master\u2019s thesis", "language": "en", "element": "type", "qualifier": "ontasot", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Matemaattis-luonnontieteellinen tiedekunta", "language": "fi", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.faculty", "value": "Faculty of Sciences", "language": "en", "element": "contributor", "qualifier": "faculty", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Fysiikan laitos", "language": "fi", "element": "contributor", "qualifier": "department", "schema": "dc"}, {"key": "dc.contributor.department", "value": "Department of Physics", "language": "en", "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.date.updated", "value": "2012-01-24T20:20:54Z", "language": "", "element": "date", "qualifier": "updated", "schema": "dc"}, {"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": "fi", "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": "402", "language": null, "element": "subject", "qualifier": "oppiainekoodi", "schema": "dc"}, {"key": "dc.subject.yso", "value": "nanoputket", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.subject.yso", "value": "grafeeni", "language": null, "element": "subject", "qualifier": "yso", "schema": "dc"}, {"key": "dc.format.content", "value": "fulltext", "language": null, "element": "format", "qualifier": "content", "schema": "dc"}, {"key": "dc.rights.url", "value": "https://rightsstatements.org/page/InC/1.0/", "language": null, "element": "rights", "qualifier": "url", "schema": "dc"}, {"key": "dc.type.okm", "value": "G2", "language": null, "element": "type", "qualifier": "okm", "schema": "dc"}]
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