activity
20232025
most citedGrain Boundary Segregation Predicted by Quantum-Accurate Segregation Spectra but not by Classical Models

17 citations · 20 across the 7 of their papers we have counts for

collaborators

8 papers

cond-mat.mtrl-sci2025

At extreme strain rates, pure metals thermally harden while alloys thermally soften

Ian Dowding, Christopher A. Schuh

When materials are deformed at extreme strain rates, greater than , a counterintuitive mechanical response is seen where the strength and hardness of pure meta…

cond-mat.mtrl-sci2025★ 1 cited

Grain Boundary Segregation Spectra from a Generalized Machine-learning Potential

Nutth Tuchinda, Christopher A. Schuh

Modeling solute segregation to grain boundaries at near first-principles accuracy is a daunting task, particularly at finite concentrations and temperatures that require accurate a…

cond-mat.mtrl-sci2025

A Grain Boundary Embrittlement Genome for Substitutional Cubic Alloys

Nutth Tuchinda, Gregory B. Olson, Christopher A. Schuh

Grain boundary chemistry plays a critical role for the properties of metals and alloys, yet there is a lack of consistent datasets for alloy design and development. With the advent…

cond-mat.mtrl-sci2025

Grain Boundary Segregation and Embrittlement of Aluminum Binary Alloys from First Principles

Nutth Tuchinda, Gregory B. Olson, Christopher A. Schuh

Grain boundary segregation controls properties of polycrystalline materials such as their susceptibility to intergranular cracking. It is of interest to engineer alloy chemistry to…

cond-mat.mtrl-sci2025★ 1 cited

The Augmented Potential Method: Multiscale Modeling Toward a Spectral Defect Genome

Nutth Tuchinda, Changle Li, Christopher A. Schuh

The modeling of solute chemistry at low-symmetry defects in materials is historically challenging, due to the computation cost required to evaluate thermodynamic properties from fi…

cond-mat.mtrl-sci2024★ 1 cited

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…

cond-mat.mtrl-sci2024

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…

cond-mat.mtrl-sci2023★ 17 cited

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…