A Phase-Field Study on the Effects of Nanoparticles on Solidification and Grain Growth

Abstract: Nanoparticle reinforced alloys offer the potential of high strength, high temperature alloys. While promising, during rapid solidification processes, alloys suffer from nanoparticle clustering, which can discount any strength benefit. An open-source phase-field model is developed using PRISMS-PF to explore the impact of nanoparticles and clustering on alloy solidification. Heterogenous nucleation and grain boundary pinning are explicitly included, and a wide range of nanoparticle area fractions and nucleation rates are modeled. At low area fractions less than 0.05, particle clustering increases grain size between 15-45% compared to a random distribution. Our quantitative analyses inform a modified Zener grain size relationship that not only depends on nanoparticle size and area fraction, but also on the nucleation rate. Grain size first drastically decreases before plateauing at higher nucleation rates. Our simulations reveal a strong preference of nanoparticles pinning grain boundaries. Pinning fraction increases rapidly with nucleation rate before saturating between 0.85-0.90. Across the range of area fractions and nucleation rates considered, the random and clustered grain sizes each collapse to a simple analytical expression that depends only on nanoparticle radius and pinning fraction. Comparisons against experimental data reveal the expressions deduced from our analyses fit reported grain sizes better than classic Zener analysis. A simple model of strength and cost tradeoffs indicates nanoparticles can be a cost-effective way to improve alloy strength.