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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Hume-Rothery Symposium on Thermodynamics of Microstructure Stability and Evolution
Presentation Title Guiding the design of microstructure and mechanical properties of alloys using integrated phase-field simulation
Author(s) Yuhong Zhao
On-Site Speaker (Planned) Yuhong Zhao
Abstract Scope Integrated phase-field simulatoins are successfully applied to guide designing high-performance alloys and manufacturing process. For example, (1) by combining macro process data from casting software with the crack criteria and Nb rich precipitates, the precipitation condition of NbC as the crack sources in austenitic stainless steel are predicted, thereby changing casting process parameters, reducing cracks, and increasing the product qualification rate from 40% to over 80%; (2) capturing the entire spinodal decomposition stage and internal microstructure evolution of Mg-Li based alloys, revealing and designing the strengthen mechanism of Mg-Li-Al alloy with ultra-high specific strength (470~500 kNmkg-1) that almost surpassing all engineering alloys; and (3) adjusting chemical composition or preparation process parameters of high performance Mg/Al based alloys by simulating corresponding dendritic growth and morphology transformation. The above work demonstrate the enormous potential of phase-field methods in discovering new multi-scale phenomena, designing high-performance alloys, and optimizing process parameters.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Modeling and Simulation, Solidification

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A mesoscale integrated model of microstructure evolution and property degradation in nuclear fuels
Accounting for the alloying effect in electrochemical equilibrium
Advanced Phase-Field Models of Solution Phases in CALPHAD Databases
An integrated simulation and experimental framework for investigating deformation mechanisms in alloys
Coherent Phase Stability and Short-Range Order in Multicomponent Systems
Connecting the atomic scale to phase field models
Critical Role of Internal Stresses in the Nucleation of Nanoscale Undercooled Melts at Solid-Solid Phase Interfaces
Direct Observation of the Atomic Scale Mechanism of Grain Rotation
Dynamical phase-field simulation of the THz light-matter interaction in ferroelectrics
Evolving Information Complexity of Coarsening Materials Microstructures
First-principles calculations of the Mg-Al phase diagram under hydrostratic pressure
Grain Selection Growth of Alkali metals in Electrochemical Processes: Thermodynamics and Phase-field Model
Guiding the design of microstructure and mechanical properties of alloys using integrated phase-field simulation
Harnessing Nano/Microstructures: Unlocking the Shape Memory and Ferroelastic Potential of Zirconia-based Ceramics
High-Temperature Dealloying in Molten Environments: Insights on Grain Boundary Effects from Phase-Field Modeling
High-Throughput and Systematic Study of Phase Transformations and Microstructure Evolution using Dual-Anneal Diffusion Multiples
Hydride Formation in Superconducting Q-Bits
Machine Learning Enhanced ICME Design for Alloy Development in Additive Manufacturing
Macroscopic energy barrier and thermodynamic hysteresis in magnetic shape memory alloys
Microscopic Modeling of Pre-Martensitic Phenomena: Complementary Perspectives from Bottom-Up and Top-Down Approaches
Microstructural Mechanisms of Performance and Degradation of Materials for Hydrogen Storage and Production – Mesoscale Modeling
Microstructure-Aware Bayesian Alloy Design
Microstructure evolutions in Ni-based superalloys under complex creep loadings
Multiphysics Microstructural Modeling with Mixed Inhomogeneous Boundary Conditions with Fourier Spectral Methods
Phase-field modeling of damage evolution in environmental barrier coating – ceramic matrix composite systems
Phase-field modeling of far-from-equilibrium solidification microstructures
Phase-field modeling of hydride behavior in the vicinity of grain boundary of Zr matrix.
Phase-field models, multiscale models and machine learning
Phase-Field Simulations of Microstructure Evolution: Application of PRISMS-PF for Complex Processing Conditions
Predicting Domain Structure and Switching in Ferroelectrics: Physics-Informed Machine Learning and Phase-field Modeling
Strain-induced phase separation and mesocrystal formation in refractory HEAs
Stress-induced reaction heterogeneity in battery electrodes
The development of phenomenological thermodynamic energies
Thermodynamics of strain phase equilibria and phase diagrams
Understanding Mechanical Tunability in Ba1-xSrxTiO3 Membrane by Phase-Field Simulation
Understanding the Impact of Applied Magnetic Fields on the Thermodynamic and Kinetic Behavior of Heat-Treated Steels
When grains go wild! Tracking the emergence and persistence of abnormal grain growth in the commercial aluminum alloy 5252
William Hume-Rothery Award Lecture: Thermodynamic Basis for the Phase-Field Method of Microstructure Stability and Evolution
Zentropy

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