Title page for ETD etd-61798-235814


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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