• Acta Physica Sinica
  • Vol. 69, Issue 14, 140201-1 (2020)
Yi-Bo Yang, Yu-Hong Zhao*, Xiao-Lin Tian, and Hua Hou
Author Affiliations
  • School of Materials Science and Engineering, North University of China, Taiyuan 030051, China
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    DOI: 10.7498/aps.69.20200154 Cite this Article
    Yi-Bo Yang, Yu-Hong Zhao, Xiao-Lin Tian, Hua Hou. Microscopic phase-field simulation for precipitation process of Ni60Al20V20 medium entropy alloy [J]. Acta Physica Sinica, 2020, 69(14): 140201-1 Copy Citation Text show less

    Abstract

    Medium entropy alloys have attracted much attention because of their excellent physical and chemical properties. Nano-scaled L12 structure ordered phase plays an important role in strengthening the mechanical properties of medium entropy alloys, and its local atomic arrangement plays a decisive role in yield strength of medium entropy alloys. In this paper, the microscopic mechanism of the precipitation process of Ni60Al20V20 medium entropy alloy is studied by using the micro diffusion phase field dynamics model, in which the probability of atoms to occupy the lattice position is taken as a field variable to describe the configuration of atoms and the morphology of precipitates. In this model, the shape and concentration of precipitate phase, the position and appearance of new phase cannot be set in advance. Combined with the inversion algorithm, the precipitation mechanism of ordered phases of γ' (L12-Ni3Al) and θ (DO22-Ni3V) is discussed by analyzing the evolution of atomic images, the change of order parameters and volume fraction. The result shows that two kinds of ordered phases are precipitated in the kinetical process of disordered phase ordering into Ni60Al20V20 medium entropy alloys, which are of $ {\gamma }' $ phase with L12 structure and of $ \theta $ phase with DO22 structure.The two ordered phases constitute a pseudo binary system. The L10 phase precipitates at the same time as DO22, and the L10 phase gradually transforms into the L12-γ′phase, while the traditional Ni75Al7.5V17.5 alloy first precipitates L10 phase, and then the DO22 phase precipitates at the boundary of anti-phase domain of L12 phase. In the transition from L10 to L12, α position of fcc lattice is occupied by Ni atom, and the β position is occupied by Al atom and V atom. The congruent ordering of atoms results in the formation of θ single-phase ordered domain of DO22 structure, followed by spinodal decomposition; the non-classical nucleation of L10 structure gradually transforms into L12-γ′ phase and spinodal decomposition. The interaction potential between the first-nearest-neighbor atoms of Ni-Al increases linearly with temperature, and increases gradually with the increase of long range order parameters. The incubation period of Ni60Al20V20 medium entropy alloy lengthens with temperature increasing. This study can be applied to the design of Ni-Al-V medium entropy alloy.
    Yi-Bo Yang, Yu-Hong Zhao, Xiao-Lin Tian, Hua Hou. Microscopic phase-field simulation for precipitation process of Ni60Al20V20 medium entropy alloy [J]. Acta Physica Sinica, 2020, 69(14): 140201-1
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