|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Computational Thermodynamics and Kinetics
||Thermodynamic Models for the Design of Stable Nanocrystalline Alloys
||Jason Trelewicz, Heather Murdoch, Fadi Abdeljawad
|On-Site Speaker (Planned)
Stability in nanocrystalline materials is dependent on grain boundary/interface characteristics, whether through a thermodynamic approach – lowering the grain boundary/interfacial energy – and/or a kinetic approach – limiting grain boundary mobility. Several models have been developed to address the conditions necessary for stability; we will briefly review the evolution of existing models and stabilization criteria, followed by a detailed analysis of selected models. We specifically focus on the Regular Nanocrystalline Solution (RNS) model and the Diffuse-Interface Phase Field model, and select binary alloys to explore with analytical, phase field, and Monte Carlo treatments. Using consistent system parameters across the three approaches, a direct comparison of the model predictions of grain boundary segregation behavior, grain size, and nanostructure stability was achieved. The similarities and differences across the models are highlighted and future directions discussed for modeling of grain boundary segregation behavior and its impact on nanocrystalline (and other) alloy design.
||Planned: Supplemental Proceedings volume