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摘要:
The valence electron structures of Al3Er and Al-3(ZrxEr1-x) phases resulted from minor elements Er and Zr addition to Al alloys were calculated according to the empirical electron theory in solid and molecule (EET). Effects of Zr contents on the valence electron structure parameters of Al-3(ZrxEr1-x) phases were discussed. The calculation results show that with the increase of Zr atom content, both the covalent electron pairs n(a) on the strongest bond for strength properties characterization and the phase structure forming factor S decrease, which indicates Al3Er phases firstly precipitate during the solidification process and Al3Er and Al-3(ZrxEr1-x) also precipitate during the subsequent heat treatment; whereas, Zr addition has few influence on the strength of the alloys. The density of crystal lattice electron rho for plastic properties characterization increases first and then decreases, revealing that Zr addition can obviously improve the plastic properties of the alloys.
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来源 :
RARE METAL MATERIALS AND ENGINEERING
ISSN: 1002-185X
年份: 2011
期: 4
卷: 40
页码: 650-654
0 . 7 0 0
JCR@2022
ESI学科: MATERIALS SCIENCE;
JCR分区:4
中科院分区:4