Understanding and design of metallic alloys guided by phase-field simulations

Abstract

Phase-field method (PFM) has become a mainstream computational method for predicting the evolution of nano and mesoscopic microstructures and properties during materials processes. The paper briefly reviews latest progresses in applying PFM to understanding the thermodynamic driving forces and mechanisms underlying microstructure evolution in metallic materials and related processes, including casting, aging, deformation, additive manufacturing, and defects, etc. Focus on designing alloys by integrating PFM with constitutive relations and machine learning. Several examples are presented to demonstrate the potential of integrated PFM in discovering new multi-scale phenomena and high-performance alloys. The article ends with prospects for promising research directions.

Exploring Microstructural, Interfacial, Mechanical, and Wear Properties of AlSi7Mg0.3 Composites with TiMOVWCr High-Entropy Alloy Powder

“…The α-Al contributed to the alloy’s ductility and formability, making the composite easier to process and shape. − Ti enhanced the mechanical strength and corrosion resistance of the composite due to its high strength-to-weight ratio and excellent oxidation resistance. − Ti also contributed to the composite’s thermal stability, allowing it to retain its mechanical properties at elevated temperatures. , Mo’s high melting point and thermal stability enhanced the composite’s performance at elevated temperatures, making it suitable for applications in high-temperature environments. , Mo added strength and hardness to the composite, improving its overall mechanical properties. The V contributed to increased strength and toughness in the composite, making it useful for applications requiring high mechanical performance. , The V also acted as a grain refiner, leading to finer microstructures and improved mechanical properties. W’s high density and exceptional strength contributed to the composite’s ability to withstand heavy loads and mechanical stress. − Cr’s corrosion resistance helped protect the composite from environmental degradation, especially in harsh and corrosive conditions.…”

Sigma‐Phase Distribution in 2507 Super Duplex Stainless Steel Continuous Casting Slabs

“…Considering that solidification is a kinetic process, the precipitation process was calculated using Thermo‐Calc with the Scheil–Gulliver model at 1250–1500 °C. [ 47 ] The TCFE12 and MOBFE7 databases were used. The chemical compositions of the tundish, B‐4, and C‐4 at the one fourth thickness near the lower surface were used.…”

Ultrafast and accurate prediction of polycrystalline hafnium oxide phase-field ferroelectric hysteresis using graph neural networks

“…High-throughput phase-field simulations are commonly used to provide physical insight into ferroelectric materials. 11–13 In polycrystalline PbTiO 3 -based systems, these simulations have significantly extended our understanding of the complex behavior arising from the interactions of polarization across grains and grain boundaries. 14–17 In the past few years, the growing interest driven by the potential for HZO-based devices triggered a dramatic surge in efforts to understand domain dynamics in HZO polycrystalline thin films.…”