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.
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| Format: | Others |
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Virginia Tech
2014
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| Online Access: | http://hdl.handle.net/10919/40510 http://scholar.lib.vt.edu/theses/available/etd-61798-235814/ |
| Summary: | 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. |
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