38 citations · 67 across the 5 of their papers we have counts for
5 papers
Interstitial Solute Segregation at Triple Junctions: Implications for the Hydrogen Storage Properties of Nanomaterials
Nutth Tuchinda, Malik Wagih, Christopher A. Schuh
At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for su…
Designing for Cooperative Grain Boundary Segregation in Multicomponent Alloys
Malik Wagih, Yannick Naunheim, Tianjiao Lei +1
Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, cl…
Grain Boundary Segregation Predicted by Quantum-Accurate Segregation Spectra but not by Classical Models
Malik Wagih, Yannick Naunheim, Tianjiao Lei +1
In alloys, solute segregation at grain boundaries is classically attributed to three driving forces: a high solution enthalpy, a high size mismatch, and a high difference in interf…
Can Symmetric Tilt Grain Boundaries Represent Polycrystals?
Malik Wagih, Christopher A. Schuh
Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so simulation methods like density functional theory are routinely used to study their stru…
The Spectrum of Interstitial Solute Energies in Polycrystals
Malik Wagih, Christopher A. Schuh
A computational method is presented to measure the spectrum of segregation energies for an interstitial solute at grain boundaries (GBs) in a polycrystal. For the Pd-H system, that…