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Bulk and surface properties of proton stability and transportation in Y and Nd co-doped BaCeO3 (BCYN), especially the effect of Nd segregation, were investigated by first-principles calculations. Since the structure of doped BaCeO3 at the operating temperature of proton-conducting has been unclear for a long time, we have summarized the latest experimental results and calculated the structure of the asymmetric BCYN for the first time. The results show that compared with Y, Nd doping promotes oxygen vacancy formation, however reduces proton stability. Our calculation can also provide a possible explanation for the formation of space charge layer at the grain boundary of doped BaCeO3 in experiment. Unlike the stable Y in BCYN, Nd is calculated to be easily segregated, which can facilitate both proton hydration and proton transportation near the surface. Moreover, Nd segregation at the grain boundary is predicted to be beneficial for proton transportation between grains.  相似文献   
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刘风 《计算机应用》2019,39(5):1534-1539
现有毒品滥用流行病模型假设吸毒者康复后对毒品拥有永久"免疫"力,而忽视了其再次成为毒品易感者的可能性。针对这一问题,通过考虑社区治疗和隔离治疗两种措施,分析了毒品滥用人群的演化过程,提出了基于暂时"免疫"力的毒品滥用流行病模型,并计算了模型的基本再生数,讨论了模型平衡点的存在性和稳定性。当基本再生数小于1时,模型存在一个局部渐进稳定的无毒平衡点;当基本再生数大于1时,模型存在唯一的地方病平衡点,并利用几何方法证明了地方病平衡点的全局稳定性;当基本再生数等于1时,如果满足一定条件,模型出现后向分支现象。数值模拟验证了上述所有结果。研究结果表明提高隔离治疗率、改善社区治疗效果和降低接触传染率可以有效抑制毒品滥用的流行。  相似文献   
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ZnO/Cu2S nanotube arrays are fabricated firstly by a facile and capping-agent-free method, and the photo-electrochemical performance has been studied systematically. The results show that ZnO/Cu2S nanotube arrays achieve enhanced photo-electrochemical water splitting performance and the photocurrent densities of ZnO/Cu2S are 7.9 times than that of ZnO at 0 V versus Ag/AgCl. The performance of the ZnO/Cu2S nanotube arrays can be adjusted by changing the amount of Cu2S microcrystals. The results confirm that the enhanced photo-electrochemical performance of ZnO/Cu2S is due to the significantly improved visible light absorption, effective separation of photo-induced carriers due to the well band energy match and the formed p-n junction between ZnO and Cu2S.  相似文献   
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Waxy, normal and high-amylose maize starches were subjected to heat-moisture treatment (HMT) and then added to wheat flour (WF) in different ratios (1%, 5% and 10%). The properties of blends and their cooked noodles were studied to investigate the effects of HMT starches. The incorporation of HMT starch in WF led to an increase in swelling power, peak viscosity and breakdown and to a decrease in setback, thus inhibiting retrogradation, hence enhancing resultant noodle softness. Compared to the same addition ratio of native starch to WF, HMT starch led to higher tensile strength and extensibility in resultant noodles. WF with added HMT starch had higher resistant starch than with native starch. This study showed that addition of HMT maize starch has potential to bring nutritional benefits. However, it is necessary to select the proper blending ratio and amylose content of starch to add, in consideration of its effect on noodle quality.  相似文献   
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Corrosion and salt deposition problems severely restrict the industrialization of supercritical water oxidation. Transpiring wall reactor can effectively weaken these two problems by a protective water film. In this work, methanol was selected as organic matter, and the influences of vital structural parameters on water film properties and organic matter removal were studied via numerical simulation. The results indicate that higher than 99% of methanol conversion could be obtained and hardly affected by transpiration water layer, transpiring wall porosity and inner diameter. Increasing layer and porosity reduced reactor center temperature, but inner diameter's influence was lower relatively. Water film temperature reduced but coverage rate raised as layer, porosity, and inner diameter increased. Notably, the whole reactor was in supercritical state and coverage rate was only approximately 85% in the case of one layer. Increasing reactor length affected slightly the volume of the upper supercritical zone but enlarged the subcritical zone.  相似文献   
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Zu  Guoqing  Lu  Yukuan  Yan  Yi  Zhang  Xiaoming  Zhao  Jingwei  Du  Wei  Ran  Xu  Jiang  Zhengyi 《Metals and Materials International》2020,26(2):248-259
Metals and Materials International - The flow behaviour and microstructure characteristics of a ferritic stainless steel were investigated using plain strain compression test on a Gleeble 3500...  相似文献   
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