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Kinetic Calculation of L10 Ordered System Based on Phase Field Methodand Cluster Variation Method

  • M. Ohno (a1) and T. Mohri (a1)


During ordering process, anti-site ordering proceeds in atomistic scale and anti-phase domain structure evolves in microstructural scale. In order to describe both the processes, a hybridized calculation of the Phase Field Method(PFM) and Cluster Variation Method(CVM) is attempted. The main objective of the present study is focused on the time evolution of atomic configuration during L10 ordering processes below and above the spinodal ordering temperature and their resultant microstructures. In order to investigate the interplay between atomistic and microstructural processes, we conducted two types of calculations. One is for a homogeneous system without an anti-phase boundary and the other is for an inhomogeneous system in which microstructure is formed by anti-phase domains.

For the homogeneous system, the relaxation curve of Long-Range-Order parameter(LRO) indicates a transient appearance of an L12-like atomic configuration below the spinodal ordering temperature. Such an L12–like state corresponds to a saddle point configuration in the CVM free energy surface. When the composition of an alloy is located near L10 + L12 phase field in the phase diagram, the L12–like phase becomes highly ordered state.

For the inhomogeneous system, it is implied that the appearance of the L12-like phase affects the resultant microstructure by providing the nucleation sites for the L10 ordered phase.



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Kinetic Calculation of L10 Ordered System Based on Phase Field Methodand Cluster Variation Method

  • M. Ohno (a1) and T. Mohri (a1)


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