【摘 要】
:
The potential energy sequences of characteristic atoms were separated out by nine potential energy E-functions on the basis of larger experimental heats of form
【机 构】
:
School of Materials Science and Engineering,Powder Metallurgy Research Institute,State Key Laborator
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The potential energy sequences of characteristic atoms were separated out by nine potential energy E-functions on the basis of larger experimental heats of formation of the L1_0-AuCu and L1_2-AuCu_3 compounds only. According to these potential energy sequences of characteristic atoms, the potential energies and heats of formation of disordered Au1-xCux alloys were calculated by corresponding E-functions at 0 K; and the potential energies, heats of formation and critical Tc-temperatures of the order-disorder transitions of L1_0-AuCu, L1_2-Au_3Cu and L1_2-AuCu_3 compounds, Au_3Cu-, AuCu- and AuCu_3-type ordered alloys with maximal ordering degrees were also calculated at 0 K. The results obtained by both the first and present parts of this investigation were compared. Comparing the results obtained by nine E-functions, the 5th E(x, 0, σ) function may be chosen for describing thermodynamic properties of the compounds, ordered and disordered phases and for establishing the phase diagram of the Au-Cu system in the future.
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