Morphological, nanostructural, and compositional evolution during phase separation of a model Ni-Al-Mo superalloy: Atom-probe tomographic experiments and lattice-kinetic Monte Carlo simulations

TL;DR

This study combines atom-probe tomography and lattice-kinetic Monte Carlo simulations to analyze the phase separation, nanostructure evolution, and compositional changes in a Ni-Al-Mo superalloy during aging at 978 K, revealing distinct regimes and interfacial characteristics.

Contribution

It provides a comprehensive experimental and computational analysis of phase separation and coarsening in Ni-Al-Mo superalloys, highlighting the evolution of nanostructure and composition over time.

Findings

Identified three distinct phase separation regimes during aging.

Quantified precipitate size, density, and compositional partitioning.

Demonstrated the decrease of interfacial compositional width with aging.

Abstract

The details of phase separation of a Ni-6.5Al-9.9Mo aged at 978 K for aging times ranging from 0.125 to 1024 h are investigated by atom-probe tomography and lattice-kinetic Monte Carlo (LKMC) simulations. On the basis of the temporal evolution of the nanostructure, three experimental regimes are identified: (1) concomitant precipitate nucleation and growth (t less than 0.25 h); (2) concurrent coagulation and coalescence (t 0.25 to 16 h); and (3) quasi-stationary coarsening of gamma prime(L12)- precipitates (t 16 to 1024 h). The temporal dependencies of the mean precipitate radius and precipitate number density, Nv(t), are determined experimentally, 0.344 (0.012) and -0.95(0.02), respectively, following the predictions of quasi-stationary coarsening models. In this alloy aged at 978 K, Al partitions strongly to the gamma prime(L12)-phase with a partitioning coefficient 4.06(0.04), whereas Mo and Ni partition to the gamma(f.c.c.)-matrix with values of 0.61(0.01) and 0.90(0.01), respectively. In the quasi-stationary regime(t larger than 16h), the temporal exponents of the Al, Mo, and Ni supersaturations in both the gamma(f.c.c.)-matrix and gamma prime(L12)-precipitates are in reasonable agreement with a multi-component coarsening model's prediction of -0.33. Quantitative analyses of the edge-to-edge inter-precipitate distances demonstrate that coagulation and coalescence are consequences of the overlap of the diffusion fields surrounding the gamma prime(L12)-precipitates. Both 3-D APT and LKMC results demonstrate that the interfacial compositional width decrease with increasing values. And the interfacial compositional width at infinite ageing time are estimated to be 1.89(0.22) nm, 2.09(0.12) nm and 2.64(0.03) nm for Ni, Al and Mo, respectively.