|About this Abstract
||2022 TMS Annual Meeting & Exhibition
||Grain Boundaries and Interfaces: Metastability, Disorder, and Non-Equilibrium Behavior
||Contributions of Triple Junctions and Quadruple Nodes to Grain-size Dependent Intergranular Segregation
||Nutth Tuchinda, Christopher A. Schuh
|On-Site Speaker (Planned)
Recent developments on the computation of the solute segregation spectrum provide the distributions of intergranular segregation energies relevant for nanocrystalline alloys. However, nanocrystalline materials contain a significant population of higher-order grain junctions (triple junctions and quadruple nodes) that can manifest in the total segregation spectrum, causing segregation to be grain size-dependent. Here, we employ a defect identifying algorithm to separate segregation spectra for grain boundary, triple junction and quadruple node sites in polycrystals. We found that in the range of 5-20 nm in grain size, the subspectra are effectively grain size-independent, but the total spectrum depends on the grain size due to their relative fraction in the intergranular network. These results are discussed in terms of thermodynamic contributions, providing a better understanding of nanocrystalline alloys at their finest grain sizes.
||Computational Materials Science & Engineering, Modeling and Simulation, Other