Published May 5, 1995
| public
Journal Article
Is carbon nitride harder than diamond? No, but its girth increases when stretched (negative Poisson ratio)
- Creators
- Guo, Yuejin
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Goddard, William A., III
Abstract
It has been believed that C_3N_4 ceramic would be harder than diamond. Predictions are reported of the mechanical properties based on a force field derived from ab initio quantum mechanics. The predicted structure for α-C_3N_4 is in good agreement with transmission electron diffraction (TED) studies, supporting the identity of the films as α-C_3N_4. The bulk modulus of α-C_3N_4 is calculated to be 189 GPa, significantly less than diamond (436 GPa calculated, 442 GPa experimental). However, α-C_3N_4 is predicted to have a negative Poisson ratio. This may lead to interesting applications.
Additional Information
© 1995 Elsevier. Received 21 December 1994, Accepted 21 February 1995. The research was funded by the NSF (CHE 91-100289). Some of the computations were carried out at the NSF Pittsburgh Supercomputing Center or on the JPL-Cray. The facilities of the MSC used in this research were supported by grants from DOE-AICD, NSF-ASC, Allied-Signal Corp., Asahi Chemical, Asahi Glass, Chevron Petroleum Technology, BF Goodrich, Hughes Research, Teijin Ltd, Vestar, and Beckman InstituteAdditional details
- Eprint ID
- 76079
- DOI
- 10.1016/0009-2614(95)00267-8
- Resolver ID
- CaltechAUTHORS:20170408-155048927
- CHE 91-100289
- NSF
- Department of Energy (DOE)
- Allied-Signal
- Asahi Chemical
- Asahi Glass
- Chevron Petroleum Technology Co.
- BF Goodrich
- Hughes Research Laboratories
- Teijin Ltd.
- Vestar
- Caltech Beckman Institute
- Created
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2017-05-23Created from EPrint's datestamp field
- Updated
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2021-11-15Created from EPrint's last_modified field