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- W1986289735 abstract "The systematic science of alloys (SSA) is a framework of the total energy and total volume able to be separated. The potential energy sequences of characteristic atoms at the central sites of the basic clusters in the fcc-based lattice Au-Cu system are separated out from smaller experimental heats of formation of L10-AuCu and Ll2-AuCu3 compounds only, by nine potential energy E-functions and through the use of structural unit inversion method. From these potential energy sequences, the potential energies and heats of formation of the disordered Au(subscript 1-x)Cu(subscript x) alloys at 0 K are calculated. The potential energies, heats of formation and T(subscript c)-temperatures of order-disorder transitions of the L10-AuCu, L12-Au3Cu and L12-AuCu3 compounds, as well as the Au3Cu-, AuCu-and AuCu3-type ordered alloys with maximal ordering degrees are calculated too. The results show that the 5th E-function may be chosen for developing it into the free energy-, enthalpy-, vibrational energy-and vibrational entropy-functions 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." @default.
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- W1986289735 date "2009-10-01" @default.
- W1986289735 modified "2023-09-26" @default.
- W1986289735 title "Potential energies of characteristic atoms on basis of experimental heats of formation of AuCu and AuCu3 compounds (II)" @default.
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- W1986289735 doi "https://doi.org/10.1016/s1003-6326(08)60437-9" @default.
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