Abstract
Binary alloys were investigated. Segregation to and thermodynamics of twist grain boundaries in Cu-Ni were studied. Segregation to and order-disorder phase transitions at grain boundaries in ordered Ni{sub 3{minus}x}Al{sub 1+x} were also investigated. Order-disorder transitions at and segregation to the (001), (011), and (111) surfaces in Pd-Cu, Pd-Ag, and Pd-Au alloys were investigated. The (001) surface in Cu-rich alloys undergoes a surface phase transition from disordered to ordered surface phase upon cooling from high temperature, similar to the (001) surface transition in Ni-rich Pt-Ni alloys. Segregation and ordering appear to be correlated. The free energy minimization method was also used to calculate the heat of formation and lattice parameter of Ag-Cu metastable phases. Results of free energy minimization for free energy and entropy of Si agree with experiment and quasiharmonic calculations.
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