| About this Abstract |
| 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. |