Hostname: page-component-7bb8b95d7b-dvmhs Total loading time: 0 Render date: 2024-09-13T07:19:41.739Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1Hauk, V., Elastic Constants and Residual Stresses in Ceramic Coatings (ICRS-2, Nancy, France, Nov 1988), pp. 292–303.Google Scholar
2Nishida, N., Residual Stress in Ion Plated Films of TiN and TiB2 (ICRS-3, Tokushima, Japan, July 23–26, 1991), pp. 735–740.Google Scholar
3Nishida, N., Hyomen Gijutsu, 40, 753 (1989).Google Scholar
4Fang, J.X. and Lu, D., Solid Physics (I) (Shanghai Press of Science and Technology, Shanghai, China, 1980).Google Scholar
5Lin, J.S., Qteish, A., Payne, M.C., and Heine, V., Phys. Rev. B 47, 4174 (1993).CrossRefGoogle Scholar
6Deng, J.Z., Ge, R.J., and Cheng, Z.X., Methods of Numerical Calculation, Xi’an: Xi’an Jiaotong University Press, Xi’an, China, (1985).Google Scholar
7Eshelby, J.P., Proc. R. Soc. A241, 376 (1957).Google Scholar
8Kroner, E., Z. Phys. 151, 504 (1958).CrossRefGoogle Scholar
9Keer, G., Phys. Status Solidi 9, 825 (1965).Google Scholar
10Hill, R., J. Mech. Phys. Solids, 11, 357 (1963).CrossRefGoogle Scholar
11Noyan, I.C. and Cohen, J.B., Residual Stress-Measurement by Dif-fraction and Interpretation (Springer-Verlag, New York, 1987).Google Scholar
12Kress, W., Roedhammer, P., Bilz, H., Teuchent, W., and Christensen, A.N., Phys. Rev. B 17, 111 (1978).CrossRefGoogle Scholar
13Rickerby, D.S., Jones, A.M., and Bellamy, B.A., Surf. Coat. Technol. 36, 661 (1988).CrossRefGoogle Scholar