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Single atom alloys (SAAs) often bring new chemistry in heterogeneous catalysis and well-defined structure for the study of structure–activity relationship (SAR). However, the existing pressure gap causes the reported SARs quite divergent. Herein, we have studied CO activation over Ni/Cu(100) SAAs in ultrahigh vacuum (UHV) and millibar range. While the Ni SAAs formed on Cu(100) significantly enhance the CO adsorption strength under UHV conditions, the CO treatment at elevated pressure leads to notable surface carbon and oxygen deposition through surface reaction. Density functional theory calculations revealed that either dissociation or disproportionation is thermodynamically forbidden for the coverage of CO less than 5/16 ML. However, these two reaction pathways can be opened at higher CO coverages due to the elevated energy state involving repulsion between adsorbed CO. This work uncovers the initial activation process of CO and demonstrates one typical cause for the pressure gap in surface science study as well. [ABSTRACT FROM AUTHOR]

Based on the original γ-Reθ transition model framework, in this work, an improved local correlation-based transition closure model is developed for high-speed flows. The local correlation between the vorticity Reynolds number and the momentum thickness Reynolds number obtained by compressible boundary-layer self-similar solutions, local compressibility correction including the pressure gradient parameter and momentum thickness Reynolds number, and local crossflow correlation are applied to improve the original γ-Reθ model for hypersonic transition predictions. The function Fonset1 used to control the transition onset and several relevant model parameters are also modified to make the improved model suitable for high-speed flow. The improved transition model is validated through several basic test cases under a wide range of flow conditions, including high-speed flat plates, sharp cones, double ramp, Hypersonic International Flight Research Experimentation, and complex hypersonic configuration X-33 vehicles. The numerical results show that the transition onset locations and the changes of heat transfer rate predicted by the present improved transition model are reasonably consistent with experimental results. The proposed model predicts the high-speed boundary layer transition behaviors induced by streamwise and crossflow instabilities with reasonable precision. [ABSTRACT FROM AUTHOR]