|About this Abstract
||Materials Science & Technology 2011
||Phase Stability, Diffusion, Kinetics and their Applications (PSDK-VI)
||Multi-Scale Modeling on Microstructures and Microstructure-Property Relations of High Temperature Materials for Fossil Energy Applications
||Kaisheng Wu, De Nyago Tafen, Michael Gao, Jeffery Hawk
|On-Site Speaker (Planned)
For the design of advanced materials in fossil energy applications, a variety of computational modeling methods have been employed to investigate the microstructural evolutions and their effects on mechanical properties. Extensive phase field simulations, efficiently utilizing CALPHAD databases, have been performed for Ni-based superalloys IN740 and Haynes 282 with alloying elements Al, Co, Cr, Mo, Ti and Nb, to examine the effects of materials chemistry and thermal histories on the coarsening rate, particle size distributions and morphologies of γ' phase under various heat treatment schedules. First-principles DFT calculations were used to evaluate the solute effects on interfacial energies. Based on these simulations, mean-field precipitation model, together with an optimization algorithm, has also been used to optimize alloy chemistry and heat treatment conditions. Microstructural evolutions of Nb-Si alloys have been investigated as well. The simulated results have been incorporated into viscoplasticity model to correlate the microstructures and the mechanical properties.
||Definite: A CD-only volume