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

Abstract

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 γ′ 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 γ′ 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 γ′ phase systematically, the ordering and clustering behaviors of solute atoms are analyzed.

Keywords

• microscopic phase-field kinetic model
• CALPHAD
• ordering behaviors
• <i>γ′</i> precipitates