|About this Symposium
||Materials Science & Technology 2019
||PSDK XIII: Phase Stability and Diffusion Kinetics
||Michael C. Gao, National Energy Technology Laboratory
Hans Seifert , Karlsruhe Insttute of Technology
Zi-Kui Liu , Pennsylvania State University
Fan Zhang , Computherm LLC
Richard Otis , Jet Propulsion Laboratory, California Institute of Technology
||Understanding and modeling of phase stability and diffusion kinetics have been a central theme of materials science and engineering with merits in both science and technology perspectives. Advances in computational and instrumentation techniques, cross-scale modeling and novel experimental observations continue to refine our understanding, resulting in design-capable tools for industry and education. This symposium will focus on the temporal and spatial evolution of phase constituents and compositions with due consideration for materials chemistry, processing and applications.
Topics of interest for phase stability and diffusion kinetics include:
• Physics- and mechanism-based theory, modeling and simulations
• Fundamental and applications-oriented experimental observations
• Microstructural modeling with an emphasis on using fundamental data
• Phenomenological expressions and atomistic mechanisms
• Methods generation and interpretation of data and databases
• Cross-scale models and integration methods
• Energetics and diffusivity of crystal defects such as grain boundaries
• High-throughput phase diagram determination
• High-throughput phase tracer diffusion studies
• Multi-scale modeling (including machining learning) utilizing thermodynamic and kinetic data
• Applying high-performance computing to CALPHAD
There is no focus on particular material classes as we are looking forward to learning how researchers in a wide variety of fields are using PSDK-related approaches to tackle problems in all kinds of materials applications, ranging from electronic, structural, energetic, multi-functional and biomaterials.
Invited sessions dedicated to honor the 2019 J. Willard Gibbs Phase Equilibria awardee will headline this symposium.