Yanru Huang

The role of inclusion, microstructure and texture evolution in soft magnetic properties of Fe–6.9 wt%Si alloy with yttrium doping was studied. The results demonstrated that rare earth Y played a crucial role in the soft magnetic properties of Fe–6.9 wt%Si alloy. Adding Y suppressed the nucleation of {110} orientation grains at {111} in-grain shear bands during warm rolling, and refined the grain size after annealing. Meanwhile, the average size and number of inclusions showed a similarly decreasing trend because of Y doping, and the maximum interface energy between fine Y-inclusions and {100} grains possibly induced the grain growth of {100} grains. In the measurement of magnetic properties, B₈ value increased from 1.295 T to 1.493 T, and P_10/1000 value was reduced from 19.165 W/kg to 17.328 W/kg due to Y doping.

The roles of inclusion, texture and grain boundary in corrosion resistance of low-nickel austenite stainless steel containing Ce was investigated by using SEM, TEM, EBSD, XRD and testing technology of electrochemistry. The results revealed that the variation in corrosion resistance of 205 stainless steels containing Ce was higher than specimen without Ce, which depended on ∑3n boundaries and Ce modifying inclusion treatment. Ce addition to steels was prone to forming fine and dispersive Ce multi-phase inclusions containing CeAlO3, CeS and Ce2O2S. When addition of Ce was up to 0.016 wt.%, its textures were characterized by pronounced γ-fiber textures comprising {111} and {111} components, as well as the frequency of ∑3n boundaries related to {111} , {111} and {112} components was significantly improved, which was in favor of corrosion resistance improvement. While adding 0.023 wt.%Ce element was detrimental to corrosion resistance of stainless steel.

Quasiclassical trajectory calculations based on a fully global ab initio potential energy surface of the rotational angular momentum polarisation of the product CO in the title reaction are reported. The alignment and orientation of the rotational angular momentum of the CO fragment in the scattering frame were found to be sensitive to the initial collision energy chosen. Differences in the angular momentum polarization at different collision energies were traced to differences in the microscopic reaction mechanism. The results of this study suggest that the title reaction is mainly dominated by an abstraction reaction mechanism (involving the short-lived and metastable intermediate complex COH) at low collision energies; however, at relatively high energies, an insertion reaction mechanism (involving the long-lived and stable intermediate complex HCO) plays a role. Graphical Abstract

Quasi-classical trajectory calculations were performed to investigate the stereodynamics of the reaction H(²S) + ClO(²Π) → HO(²Π) + Cl(²P) using the ground-state potential energy surface 1¹A′. The alignment and orientation of the product molecules as well as the four polarization-dependent differential cross-sections (PDDCSs) for this reaction across a wide range of collision energies (0.05–1.0 eV) and for the rovibrational state ClO(v = 0 and j = 0) were obtained and are reported here. It was found that the OH product rotational polarization is not very sensitive to the collision energy selected. We discuss this phenomenon in detail. The calculated results indicate that, for this system, the two deep wells in the potential energy surface are very likely to be powerful influences on the degree of product rotational polarization. In addition, the microscopic reaction mechanism that dictates the product angular momentum orientation was investigated. The forward peak in the PDDCS₀₀ at θ = 0° in our study showed a strong dependence on the initial collision energy.