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Valence electron structures analysis of S phase and the S/a interface in Al-Cu-Mg alloy
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Liaoning University of Technology

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    Abstract:

    Based on the empirical electron theory of solids and molecules, the valence electron structures of S phase and the S/a interface were calculated, then the relationships between their VESs and precipitation strength and interface properties were analyzed in Al-Cu-Mg alloys in this paper. It is shown the covalent bond distribution of S phase is uniform and its main bond network is built by four stronger covalent bonds connected by Cu atoms. The nature of precipitation strength of S phase lies in its binding force of the strongest covalent bond is bigger 135.14% than that of the matrix a-Al and causes the stronger inhibition to the dislocation movement. The covalent electron density difference of (100)S//(100)a, (010)S// aand (001)S//(021)ais 0.003%, 3.564%and 5.811% respectively, while the covalent electron density of (100)S//(100)ais 10.3915 nm-2 and 10.3918 nm-2 , and that of (010)S// ais 0.0486 nm-2 and 0.0469 nm-2, and that of (001)S//(021)ais 0.0486 nm-2 and 0.0459 nm-2. Compared with (001)S//(021)a和(010)S// a, the binding force and covalent electron density of (100)S//(100)a is the biggest while its covalent electron density difference is the smallest, so that the interface continuity is the best and the interface stress is the smallest.

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[Qu Hua, Xu Qiaozhi, Liu Weidong, Qi Jianxue. Valence electron structures analysis of S phase and the S/a interface in Al-Cu-Mg alloy[J]. Rare Metal Materials and Engineering,2020,49(11):3816~3821.]
DOI:10.12442/j. issn.1002-185X.20200264

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History
  • Received:April 22,2020
  • Revised:May 09,2020
  • Adopted:May 27,2020
  • Online: December 09,2020
  • Published: