Abstract
The surface energy values of (100), (110), (111) surfaces in Ni, AI and ordered alloys NiAl and NisAl have been calculated within the framework of methodology based upon the electron density functional method. The results of calculations are in good agreement with the known for pure metals experimental data and in case of Ni3Al alloy. There is also a good agreement with the results obtained by calculation using the embedded atom method. The investigation has been carried out in this work to show that the surface energy σ of alloys can not be interpreted as an averaged concentration σ of pure metals. For NiAl, the obtained results reveal considerable distinctions in anisotropy of σ in comparison to the anisotropy of surface energy in pure metals.
| Original language | English |
|---|---|
| Pages (from-to) | 320-322 |
| Number of pages | 3 |
| Journal | Journal of Materials Science and Technology |
| Volume | 14 |
| Issue number | 4 |
| Publication status | Published - 1 Dec 1998 |
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ASJC Scopus subject areas
- Ceramics and Composites
- Mechanics of Materials
- Mechanical Engineering
- Polymers and Plastics
- Metals and Alloys
- Materials Chemistry
Cite this
Calculation of surface energy of metals and alloys by the electron density functional method. / Kuznetsoy, V. M.; Kadyrov, R. I.; Rudenskii, G. E.
In: Journal of Materials Science and Technology, Vol. 14, No. 4, 01.12.1998, p. 320-322.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Calculation of surface energy of metals and alloys by the electron density functional method
AU - Kuznetsoy, V. M.
AU - Kadyrov, R. I.
AU - Rudenskii, G. E.
PY - 1998/12/1
Y1 - 1998/12/1
N2 - The surface energy values of (100), (110), (111) surfaces in Ni, AI and ordered alloys NiAl and NisAl have been calculated within the framework of methodology based upon the electron density functional method. The results of calculations are in good agreement with the known for pure metals experimental data and in case of Ni3Al alloy. There is also a good agreement with the results obtained by calculation using the embedded atom method. The investigation has been carried out in this work to show that the surface energy σ of alloys can not be interpreted as an averaged concentration σ of pure metals. For NiAl, the obtained results reveal considerable distinctions in anisotropy of σ in comparison to the anisotropy of surface energy in pure metals.
AB - The surface energy values of (100), (110), (111) surfaces in Ni, AI and ordered alloys NiAl and NisAl have been calculated within the framework of methodology based upon the electron density functional method. The results of calculations are in good agreement with the known for pure metals experimental data and in case of Ni3Al alloy. There is also a good agreement with the results obtained by calculation using the embedded atom method. The investigation has been carried out in this work to show that the surface energy σ of alloys can not be interpreted as an averaged concentration σ of pure metals. For NiAl, the obtained results reveal considerable distinctions in anisotropy of σ in comparison to the anisotropy of surface energy in pure metals.
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UR - http://www.scopus.com/inward/citedby.url?scp=0032260239&partnerID=8YFLogxK
M3 - Article
VL - 14
SP - 320
EP - 322
JO - Journal of Materials Science and Technology
JF - Journal of Materials Science and Technology
SN - 1005-0302
IS - 4
ER -