4.4 Article

Compositional partitioning during the spinodal decomposition in Cu-Ni-Sn alloy

期刊

PHILOSOPHICAL MAGAZINE
卷 98, 期 13, 页码 1204-1216

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TAYLOR & FRANCIS LTD
DOI: 10.1080/14786435.2018.1436779

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Copper alloys; ab initio; spinodal decomposition; XRD; EXAFS

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Spinodal decomposition in Cu-9.4at%Ni-3.1at%Sn alloy was elucidated with the new insight from the experimental EXAFS analysis supported by ab initio total energy calculations suggesting the strong influence of the first near-neighbour atoms. Enthalpy of mixing was calculated for all crystallographically unique first near-neighbour configurations and finally an average positive enthalpy of mixing of 1604J/mol was obtained. Combination of ab initio results, XRD and EXAFS analysis indicate that one of the daughter phase becomes rich in Ni and Sn than the other phase; in contrary to the earlier proposition that Cu/Ni ratio remains constant in both daughter phases. It is also shown that the present thermodynamic description requires further refinement to extend the miscibility gap towards lower Ni content in Cu-Ni-Sn system.

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