RESUMO
CONTEXT: Oxygen is a chemically active gas. Metal uranium will be rapidly oxidized when exposed to oxygen directly, forming a complex and uncompacted oxide layer on the surface. The U-O2 reaction system is a very complex metal oxidation system. The surface oxidation reaction of uranium-niobium alloy is more complex, and it is also the main corrosion form of uranium-niobium alloy. Exploring the microscopic mechanism of surface oxidation corrosion of uranium-niobium alloy is of great significance for understanding the surface corrosion phenomenon in practical applications. The adsorption of O2 on U-Nb (5at.%) surface was investigated by first-principles calculation using a periodic slab model within the density functional theory (DFT). The effect of different levels of Nb doping on O adsorption was investigated, and the stability of O-U and O-Nb adsorption was studied in conjunction with the Bader charge distribution, differential charge density map, electron density of states, and surface work function. The results showed that physical adsorption happens when O2 is vertically adsorbed at the top site of Nb atom, whereas dissociative adsorption happened in all other configurations considered here. The interaction between adsorbed O2 and U-Nb surface was essentially the hybridization between the O/2p orbital electrons and the U/6d, U/5f, Nb/4p, Nb/5s, and Nb/4d orbital electrons to form a relatively stable ionic bond. When Nb was doped into the second layer of the surface, the most stable O2 adsorption configuration was top-site horizontal adsorption. The adsorption energy was - 22.38 eV, which was more negative than the adsorption energy of - 21.38 eV for the first doped layer horizontal adsorption at hollow-site. The interaction was essentially the hybridization between O/2p orbital electrons and U/6d and U/5f electrons and between O/2s orbital electrons and U/6p orbital electrons to form a relatively stable ionic bond. METHOD: In this paper, the adsorption and dissociation of oxygen molecules on the surface of U-Nb system were systematically studied by first-principles calculations, in order to explore the surface oxidation corrosion mechanism of uranium-niobium alloy from the micro level. The VASP program uses PAW pseudopotential, which belongs to the density functional method, and uses DSP.
RESUMO
Today, there is an increasingly aging workforce. Previous studies have examined whether aged people exhibit more positive attitudes, better health, and better performance. However, the relationship between age and proactive work behavior has seldom been examined, which is unfortunate since organizations need employee proactivity to deal with uncertainty and unpredictability. Based on socioemotional selectivity theory, we propose that age might be positively related to proactive work behavior through intrinsic motivation and emotional exhaustion because older people tend to manage their emotions and obtain intrinsic enjoyment. But age might be negatively related to proactive work behavior through career aspiration because older people focus less on future development. With a sample of 393 people, we revealed intrinsic motivation and career aspiration. The findings could help us better understand how age is related to organizational outcomes and individual differences in proactive work behavior. They could also further reduce age-related discrimination and encourage organizations to manage older people in wise and better ways.
RESUMO
In the present research, the preparation process parameters of TiO2 nanotube arrays (TNAs) prepared by anodic oxidation were systematically studied by the orthogonal experimental method for the first time. Herein, the parameters of nine factors were optimized; the optimal parameters were: the electrolyte was a 0.2 mol L-1 NaF solution with 3% vol H2O at pH 7, the anodic oxidation voltage was 40 V, the electrode spacing was 4 cm and the reaction was carried out for 60 minutes. The physicochemical properties of the materials were characterized by SEM, XRD, EDS, UV-vis, and PL spectroscopy. By electrodeposition of Bi2O3 modified TNAs, the degradation rate of unsymmetrical dimethylhydrazine (UDMH) wastewater on the TNAs-10 was 89.14% within 10 h, which was 2.69 times that on pure TNAs. A bias potential of +0.3 V (vs. open circuit potential) was applied to the modified TNAs-10. The degradation rate of UDMH was significantly enhanced on the TNAs-10 (bias) process as compared to the TNAs-10 process. The degradation rate of UDMH wastewater on TNAs-10 (bias) exhibited an exponential distribution. UDMH and its toxic by-products FDMH, NDMA were completely degraded after 8 h.
