57 citations · 79 across the 14 of their papers we have counts for
4 papers · 2 filters
Atomic cluster expansion for Pt-Rh catalysts: From ab initio to the simulation of nanoclusters in few steps
Yanyan Liang, Matous Mrovec, Yury Lysogorskiy +3
Insight into structural and thermodynamic properties of nanoparticles is crucial for designing optimal catalysts with enhanced activity and stability. We present a semi-automated w…
Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks
Wei Luo, Zhuocheng Xie, Siyuan Zhang +10
Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to…
Constructing phase diagrams for defects by correlated atomic-scale characterization
Xuyang Zhou, Prince Mathews, Benjamin Berkels +10
Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been system…
Chemical and structural characterization of the native oxide scale on a Mg-based alloy
Deborah Neuß, Ingrid E. McCarroll, Siyuan Zhang +11
In this study, the structure and composition of the native oxide forming on the basal plane (0001) of Mg-2Al-0.1Ca is investigated by a correlative approach, combining scanning tra…