Kinetic calculation of L10 ordered system based on Phase Field Method and Cluster Variation Method

M. Ohno, T. Mohri

研究成果: Conference article査読

1 被引用数 (Scopus)


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 L1 2-like phase affects the resultant microstructure by providing the nucleation sites for the L10 ordered phase.

ジャーナルMaterials Research Society Symposium - Proceedings
出版ステータスPublished - 2003 11月 10
イベントDefect Properties and Related Phenomena in Intermetallic Alloys - Boston, MA, United States
継続期間: 2002 12月 32002 12月 5

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学


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