Christopher A. Schuh
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View article: Designing for cooperative grain boundary segregation in multicomponent alloys
Designing for cooperative grain boundary segregation in multicomponent alloys Open
Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…
View article: Microscale Metal Additive Manufacturing by Solid‐State Impact Bonding of Shaped Thin Films
Microscale Metal Additive Manufacturing by Solid‐State Impact Bonding of Shaped Thin Films Open
The deposition of device‐grade inorganic materials is one key challenge toward the implementation of additive manufacturing (AM) in microfabrication, and to that end, a broad range of physico‐chemical principles has been explored for 3D fa…
View article: A grain boundary embrittlement genome for substitutional cubic alloys
A grain boundary embrittlement genome for substitutional cubic alloys Open
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 of artificial intelligence and machine learning in materia…
View article: Single particle impact explorations on the role of powder heat treatments in cold spray: Effects of strength and oxide structure
Single particle impact explorations on the role of powder heat treatments in cold spray: Effects of strength and oxide structure Open
In cold spray, the optimization of the powder feedstock for improving the final properties of the coating and for improving the process itself are two different objectives. This paper explores the latter, studying the relationship between …
View article: At extreme strain rates, pure metals thermally harden while alloys thermally soften
At extreme strain rates, pure metals thermally harden while alloys thermally soften Open
When materials are deformed at extreme strain rates, greater than $10^6 \text{ s}^{-1}$, a counterintuitive mechanical response is seen where the strength and hardness of pure metals increases with increasing temperature. The anti-thermal …
View article: Grain Boundary Segregation Spectra from a Generalized Machine-learning Potential
Grain Boundary Segregation Spectra from a Generalized Machine-learning Potential Open
Modeling solute segregation to grain boundaries at near first-principles accuracy is a daunting task, particularly at finite concentrations and temperatures that require accurate assessments of solute-solute interactions and excess vibrati…
View article: The Augmented Potential Method: Multiscale Modeling Toward a Spectral Defect Genome
The Augmented Potential Method: Multiscale Modeling Toward a Spectral Defect Genome Open
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 first principles. Here, we offer a hybrid multiscale approach…
View article: A Grain Boundary Embrittlement Genome for Substitutional Cubic Alloys
A Grain Boundary Embrittlement Genome for Substitutional Cubic Alloys Open
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 of artificial intelligence and machine learning in materia…
View article: Grain Boundary Segregation and Embrittlement of Aluminum Binary Alloys from First Principles
Grain Boundary Segregation and Embrittlement of Aluminum Binary Alloys from First Principles Open
Grain boundary segregation controls properties of polycrystalline materials such as their susceptibility to intergranular cracking. It is of interest to engineer alloy chemistry to enhance grain boundary cohesion to prevent intergranular f…
View article: Interstitial Solute Segregation at Triple Junctions: Implications for the Hydrogen Storage Properties of Nanomaterials
Interstitial Solute Segregation at Triple Junctions: Implications for the Hydrogen Storage Properties of Nanomaterials Open
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 substitutional alloys, here we develop a framework that accou…
View article: Designing for Cooperative Grain Boundary Segregation in Multicomponent Alloys
Designing for Cooperative Grain Boundary Segregation in Multicomponent Alloys Open
Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…
View article: Microscale metal additive manufacturing by solid-state impact bonding of shaped thin films
Microscale metal additive manufacturing by solid-state impact bonding of shaped thin films Open
The deposition of device-grade inorganic materials is one key challenge towards the implementation of additive manufacturing in microfabrication, and to that end, a broad range of physico-chemical principles has been explored for 3D fabric…
View article: Towards an understanding of particle-scale flaws and microstructure evolution in cold spray via accumulation of single particle impacts
Towards an understanding of particle-scale flaws and microstructure evolution in cold spray via accumulation of single particle impacts Open
Cold spray coatings are the sum of countless individual bonding events between single particles impacting on top of one another at high velocities. Thus, the collective behavior of microparticles must be considered to elucidate the origins…
View article: Grain boundary segregation for the Fe-P system: Insights from atomistic modeling and Bayesian inference
Grain boundary segregation for the Fe-P system: Insights from atomistic modeling and Bayesian inference Open
In this work we re-assess experimental data for grain boundary (GB) segregation of P in bcc Fe with thermodynamic and statistical methods. The data are based on Auger-Electron-Spectroscopy (AES) measurements which have provided P GB concen…
View article: Multicomponent alloys designed to sinter
Multicomponent alloys designed to sinter Open
Powder sintering is a low-energy, net-shape processing route for many new products in the additive manufacturing space. We advance the viewpoint that for future manufacturing, alloys should be designed from materials science principles to …