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Elastic constants of polycrystalline Al and TiN calculated by an ab initiomethod within the local-density approximation

Published online by Cambridge University Press:  31 January 2011

Ming Zhang ,
Jiang Shen  and
Jiawen He
Ming Zhang
Affiliation:
State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, China
Jiang Shen
Affiliation:
Beijing University of Science and Technology, Beijing 100083, China
Jiawen He
Affiliation:
State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an 710049, China
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Abstract

The three single-crystal elastic constants of the cubic materials Al and TiN were calculated by an ab initio method within the local-density approximation of density-functional theory. The values were compared with experiment and averaged by the Kroner method to give polycrystalline results. The results agree well with experiment.

Type
Articles
Information
Journal of Materials Research , Volume 16 , Issue 8 , August 2001 , pp. 2293 - 2297
Copyright
Copyright © Materials Research Society 2001

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