7 papers
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…
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…
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…
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…
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…
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…