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Meeting MS&T21: Materials Science & Technology
Symposium Nucleation of Solid-State Phase Transformations
Presentation Title Modeling Microstructure Evolution Using the Steepest-entropy-ascent Quantum Thermodynamic Framework
Author(s) Jared Denmark Mcdonald, Michael R. von Spakovsky, William T Reynolds
On-Site Speaker (Planned) Jared Denmark Mcdonald
Abstract Scope Sintering, grain growth and other coarsening phenomena are common in ceramic and metallic systems. Meso-/nano-scale techniques for modeling them include Discrete Element and Kinetic Monte Carlo methods. Unfortunately, these methods involve significant computational resources and possess limited scalability to distinct initial conditions. Additionally, they employ temperature-dependent rate equations in non-equilibrium conditions where temperature is not defined. An alternative approach that can predict all conceivable kinetic paths in a discrete system is the Steepest-Entropy-Ascent Quantum Thermodynamics. Utilizing this framework, a unique kinetic path for the evolution of each initial non-equilibrium state to stable equilibrium is found by solving an equation of motion in state space that takes the form of a series of ordinary differential equations. Results for microstructure evolution for three different initial conditions are given, demonstrating the phenomenological behavior of polycrystalline sintering, precipitate coarsening, and grain growth. Time evolutions of microstructural descriptors for these cases are presented as well.


3-dimensional Observation of Bainite from Austenite Grain Boundary in 0.6wt% Carbon Steel.
Critical Nuclei at Hetero-phase Interfaces
Effect of Cooling Rate and Austenitic Grain Size on the Austenite Decomposition Kinetics in a Low- carbon Steel
Formation of the γ’’’-Ni2(Cr, Mo, W) Phase during Two-step Heat Treatment in Haynes® 244® Alloy
Identification of Critical Nucleation Events by the Gromov-Wasserstein Distance
Investigation of Nucleation Mechanisms Associated with the Formation of Coprecipitates in Ni-based Superalloys
Modeling Microstructure Evolution Using the Steepest-entropy-ascent Quantum Thermodynamic Framework
Observing the Solid-state Processes under Additive Manufacturing Conditions Inside the TEM
P1-28: Structure Influenced Rapid Hydrogenation Using Metal-acid Contacts on Crystallographically Oriented VO2 Thin Films

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