Microscopic Phase-Field Simulation of <i>γ′</i> Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method

In the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evolution of the <i>γ′</i> precipitate and the varia...

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Bibliographic Details
Main Authors: Zhenzhi Liu, Yan Zhao, Xuyu Zhang, Xiao-Gang Lu, Chuanjun Wang, Yu Zhang
Format: Article
Language:English
Published: MDPI AG 2022-07-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/12/7/971
Description
Summary:In the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evolution of the <i>γ′</i> precipitate and the variation of its atomic ordering parameter for Ni–X (X = Al, Fe, Mn, Pt, or Si) alloys during aging are studied. The simulation results predict different occupation preferences for solute and solvent atoms in the <i>γ′</i> phase, i.e., solute atoms are inclined to occupy the corner sites and solvent atoms tend to occupy the face sites. In order to understand the precipitation process of the <i>γ′</i> phase systematically, the ordering and clustering behaviors of solute atoms are analyzed.
ISSN:2073-4352