| Scope |
The Computational Thermodynamics and Kinetics (CTK) Symposium, held yearly for over 25 years, showcases cutting-edge advances in computational methods to deepen our understanding of the thermodynamic and kinetic behavior and properties of both structural and functional materials. The symposium scope spans a broad range of scales, methods (e.g. ab initio, molecular dynamics, (kinetic) Monte Carlo, phase-field, cluster dynamics, CALPHAD, crystal plasticity, etc.) and applications in a wide range of materials (e.g. metals, alloys, ceramics, semiconductors, magnets, composites, and more), enabling transformative insights into the stability, synthesis, processing, and performance of materials.
Topics of interest include but are not limited to:
• Development and integration of innovative computational approaches and workflows (e.g., ML/AI tools and methods, automated materials synthesis) to accelerate materials discovery and design;
• Prediction of materials properties (mechanics, chemistry, electronic, transport, magnetism, etc.) and their interplay (e.g. atomic transport and magnetism);
• Computational models and software development for phase equilibria and transformations as well as metastable phases formation and evolution;
• Effect of constraints and both internal and external fields (elastic, plastic, electric, magnetic, etc.) on the stability, microstructure, and other properties of materials;
• Alloy design, microstructure control, multi-phase/multicomponent systems;
• Materials evolution under extreme conditions (heat, radiation, etc.);
• Microstructure and defect evolution across multiple length and time scales. |