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Meeting MS&T24: Materials Science & Technology
Symposium Thermodynamics of Materials in Extreme Environments
Presentation Title Hase-Field Model of Solid Stoichiometric Compounds and Solution Phases
Author(s) Yanzhou Ji, Long-Qing Chen
On-Site Speaker (Planned) Long-Qing Chen
Abstract Scope Modeling microstructure evolution involving both solution and stoichiometric phases is a long-standing challenge in phase-field method since the chemical potential of a stoichiometric compound only exists at a specific stoichiometric composition point. The usual practice of parabolic approximations to the chemical potential of a stoichiometric compound often leads to thermodynamic inconsistency, difficulty in parameterization, and numerical problems. Here we report a phase-field model for predicting microstructure evolution involving simultaneous solid stoichiometric and solution phases. It is generally applicable to a wide range of common processes such as precipitation of stoichiometric phases in alloys, crystallization of stoichiometric compounds, vapor-phase deposition of stoichiometric thin films or two-dimensional materials, oxidation of alloys, electrochemical deposition, interfacial reactions, etc.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Generalized Approach for Rapid Entropy Calculation of Liquids and Solids
A Thermodynamic Equation of Motion for Coupled Transport in Magnetite
An Investigation of the Structure-Property Relations of Tunnel Structured Oxides
Atomic-Scale Structural Analysis of Metastable Zirconia
Computationally Guided Synthesis of MXenes by Dry Selective Extraction
Defect Thermodynamics and Its Role in the Irradiation Response of Nuclear Fuels
Dissipative Kinetic Models: Do we Require Deeper Understanding of Local Thermodynamics?
Electrochemical Determination of Thermodynamic Properties of Ni(II) in FLiNaK Molten Salt
Expanding Metastability Beyond Glasses and Undercooled States in Metals
Exploring Actinide Molten Salts with Density Functional Theory
Hase-Field Model of Solid Stoichiometric Compounds and Solution Phases
Implementing Models for High-Throughput CALPHAD Modeling of Molten Salts with Uncertainty Quantification
Magnetic Properties of Non-Crystalline Ho2Ti2O7 Pyrochlore Prepared by Far-From-Equilibrium Processing
Molten Salt Calorimetry for Molten Salt Nuclear Reactors
Non-Ideal Mixing in Entropy Stabilized Oxides
Predictive Modeling of the Structure and Thermodynamics of Molten Salts
Quantifying the Athermal Effect of Electric Current on Solid-Solid Phase Transformation of Titanium
Thermochemistry of RE2O3-P2O5 Systems
Thermodynamic Characteristics of Special Alloys of the Ti-Al system Formed During the Synthesis Process
Thermodynamic Modeling During Synthesis in Ni-Al and Ti-Al Systems
Thermodynamic Modeling of Molten Salt for Nuclear Applications: Challenges and Opportunities

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