Type of Document	Dissertation
Author	Teter, David Michael
Author's Email Address	dteter@vt.edu
URN	etd-61798-235814
Title	Computational Alchemy: The Rational Design of New Superhard Materials
Degree	PhD
Department	Materials Science and Engineering
Advisory Committee	Advisor Name Title Gibbs, Gerard V. Committee Chair Boisen, Monte B. Jr. Committee Member Cox, David F. Committee Member Curtin, Willliam A. Jr. Committee Member Prewitt, C. T. Committee Member
Keywords	Structure prediction superhard materials high-pressure
Date of Defense	1998-06-29
Availability	restricted
Abstract 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.
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