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A Simulating Approach to Elemental Concentration of Sublattices and Lattice Parameter of r', Phase in Ni Base Superalloys |
PENG Zhifang;LIU Pan |
College of Power and Mechanical Engineering; Wuhan University; Wuhan 430072 |
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Cite this article:
PENG Zhifang; LIU Pan. A Simulating Approach to Elemental Concentration of Sublattices and Lattice Parameter of r', Phase in Ni Base Superalloys. Acta Metall Sin, 2004, 40(6): 569-.
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Abstract Objective functions on minimizing the atomic volume elastic strain and the atomic size misfit in close--packed directions due to the atomic substitution in sublattices of r’ phase are established, respectively. Constrain conditions on equilibrium partition of alloying elements and on their concentration range in sublattices of r’ phase are correspondingly built up. Using superalloys CMSX--2 and SRR99 as objects investigated and adopting a compound optimization calculation method with the Powell and the Simplex algorithms, the elemental concentration and the site fraction of the two sublattices can be calculated. In addition, a calculation formula on lattice parameter of r’phase closely associated with the elemental concentration and with the site occupancy of the sublattices is derived. All the calculated results by use of the present methods show quite good accordance with the reported values. The method proposed can predict the elemental concentration in sublattices and the lattice parameter of r’phase when the chemical composition of the r’ phase investigated is known.
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Received: 02 July 2003
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