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An ab initio study of the ideal tensile and shear strength of single-crystal β–Si3N4

Published online by Cambridge University Press:  31 January 2011

Shigenobu Ogata ,
Naoto Hirosaki ,
Cenk Kocer  and
Yoji Shibutani
Shigenobu Ogata
Affiliation:
Department of Mechanical Engineering and Systems and Handai Frontier Research Center, Graduate School of Osaka University, 2-1 Yamada-oka, Suita-shi, 565-0871, Osaka, Japan
Naoto Hirosaki
Affiliation:
Advanced Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba-Shi Ibaraki 305-0044, Japan
Cenk Kocer
Affiliation:
Advanced Materials Laboratory, National Institute for Materials Science, 1-1 Namiki, Tsukuba-Shi Ibaraki 305-0044, Japan
Yoji Shibutani
Affiliation:
Department of Mechanical Engineering and Systems and Handai Frontier Research Center, Graduate School of Osaka University, 2-1 Yamada-oka, Suita-shi, 565-0871, Osaka, Japan
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Abstract

In this study, the ideal tensile and shear strength of single-crystal β–Si3N4 was calculated using an ab initio density functional technique. The stress-strain curve of the silicon nitride polymorph was calculated from simulations of uniaxial strain deformation. In particular, the ideal strength calculated for an applied ∈11 tensile strain was estimated to be approximately 57 GPa. Recently, a good correlation was reported between the shear modulus of high-strength materials and the experimentally determined Vickers indentation hardness value. Using the reported correlation an estimate was made of the Vickers indentation hardness of single-crystal β–Si3N4: approximately 20.4 GPa.

Type
Articles
Information
Journal of Materials Research , Volume 18 , Issue 5 , May 2003 , pp. 1168 - 1172
Copyright
Copyright © Materials Research Society 2003

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