Type of Document Dissertation Author Teter, David Michael Author's Email Address email@example.com 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
Date of Defense 1998-06-29 Availability restricted 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.
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