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- W4299571858 abstract "Ab initio calculation was performed to investigate the nature of Si-Al bonding in Al based alloys. Total electronic energy Etot for different configurations of the model cluster Si2Al6 was calculated. When the model cluster consists of two perfect tetrahedrons there is a strong influence of the Si-Si distance on the Si-Al adiabatic potential. The equilibrium distance between Si and Al atoms increases with the length of Si-Si bond increasing. It was concluded that description of Si clusters in Al matrix demands an account of the angle depending part of Si-Al interaction." @default.
- W4299571858 created "2022-10-02" @default.
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- W4299571858 date "2002-01-01" @default.
- W4299571858 modified "2023-09-30" @default.
- W4299571858 title "Silicon-aluminum bonding in Al alloys" @default.
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- W4299571858 doi "https://doi.org/10.31812/0564/1033" @default.
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