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The difference of the electron chemical potential energy between the atom cells in the calculated aluminum alloys was considered to have a negative effect on the formation energy of the alloy system. The function of parameter ψ* to the thermodynamic calculation was assessed and a new formula about the parameter ψ* for rare earth elements were established. The results show that the calculated value through the proposal parameter ψ* is near to the system work function, and the maximum relative error is within 12.0% while the average relative error is less than 5.0%. The calculated mixing enthalpy values of the alloys are much closer to the published experimental results.
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