Abstract
The atomic bonding of Al–Li alloy with minor Zr is calculated according to the “Empirical Electronic Theory in Solids”. The result shows that the stronger interaction between Al and Zr atoms, which leads to form the Al–Zr segregation regions, promotes the precipitation of Al 3Zr particles and produces a remarkable refinement of Al 3Li grains in the alloy. Because there are the strongest covalent Al–Zr bonds in Al 3Zr and Al 3(Zr, Li) particles, these covalent bonds can cause a great resistance for dislocation movement, and is favorable to strengthen the alloy. On the other hand, with precipitating the Al 3(Zr, Li) particles, it causes the coherent interphase boundary energy of Al/Al 3Li to decrease, and atomic bonding is well matched in between the interface of two phases.
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