Computational Alchemy: The Rational Design of New Superhard Materials

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dc.contributor.authorTeter, David Michaelen
dc.contributor.committeechairGibbs, Gerald V.en
dc.contributor.committeememberPrewitt, C. T.en
dc.contributor.committeememberCox, David F.en
dc.contributor.committeememberCurtin, William A. Jr.en
dc.contributor.committeememberBoisen, Monte B. Jr.en
dc.contributor.departmentMaterials Science and Engineeringen
dc.date.accessioned2014-03-14T21:23:52Zen
dc.date.adate1998-07-22en
dc.date.available2014-03-14T21:23:52Zen
dc.date.issued1998-06-29en
dc.date.rdate1999-07-22en
dc.date.sdate1998-06-29en
dc.description.abstractFirst--principles electronic structure calculations have been performed to help identify and direct the synthesis of new superhard compounds. An improved figure of merit for hardness is identified and used to show that carbon nitrides are not likely to be harder than diamond.en
dc.description.degreePh. D.en
dc.identifier.otheretd-61798-235814en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-61798-235814/en
dc.identifier.urihttp://hdl.handle.net/10919/40510en
dc.publisherVirginia Techen
dc.relation.haspartetd.pdfen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectStructure predictionen
dc.subjectsuperhard materialsen
dc.subjecthigh-pressureen
dc.titleComputational Alchemy: The Rational Design of New Superhard Materialsen
dc.typeDissertationen
thesis.degree.disciplineMaterials Science and Engineeringen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.leveldoctoralen
thesis.degree.namePh. D.en

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