Article ID Journal Published Year Pages File Type
1640559 Transactions of Nonferrous Metals Society of China 2009 14 Pages PDF
Abstract

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 L10-AuCu and L12-AuCu3 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 L10-AuCu, L12-Au3Cu and L12-AuCu3 compounds, Au3Cu-, AuCu- and AuCu3-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.

Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys