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Computational Alchemy: The Rational Design of New Superhard Materials

First--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. / Ph. D.

Identiferoai:union.ndltd.org:VTETD/oai:vtechworks.lib.vt.edu:10919/40510
Date22 July 1998
CreatorsTeter, David Michael
ContributorsMaterials Science and Engineering, Gibbs, Gerald V., Prewitt, C. T., Cox, David F., Curtin, William A. Jr., Boisen, Monte B. Jr.
PublisherVirginia Tech
Source SetsVirginia Tech Theses and Dissertation
Detected LanguageEnglish
TypeDissertation
Formatapplication/pdf
RightsIn Copyright, http://rightsstatements.org/vocab/InC/1.0/
Relationetd.pdf

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