|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Thermal and Mechanical Stability of Nanocrystalline Materials
||Mesoscale Modeling of Grain Boundary Segregation: The Role of Anisotropy in Segregation
||Fadi Abdeljawad, Stephen Foiles, Blas Uberuaga, Enrique Martinez
|On-Site Speaker (Planned)
Grain boundary (GB) solute segregation has been proposed as a route to mitigate grain growth in nanocrystalline (NC) metals and thermally stabilize their grain structures. Based on a diffuse interface model that accounts for bulk and GB thermodynamics, solute-GB interactions and GB migration, we examine GB segregation in NC metals and its impact on grain growth dynamics. Regimes are identified where the reduction in GB energy, and thus the driving force for grain growth, can be large. Next, anisotropy is incorporated in the modeling framework by allowing the segregation energy to depend on the GB type. As a demonstration of the modeling capability, segregation energies are parameterized based on results from atomistic calculations of a wide range of GB types in Ni-based binary alloys. Simulation results utilizing such atomistic data highlight the role of GB segregation anisotropy on the solute distribution, grain growth dynamics and overall thermal stability of NCs.
||Planned: Supplemental Proceedings volume